N-(3-tert-butyl-2-methylphenyl)-N-ethyloxan-4-amine;N-(3-tert-butyl-2-methylphenyl)oxan-4-amine;3-tert-butyl-5-(oxan-4-ylmethyl)pyridine;2-(3-tert-butylphenoxy)-N-methylethanamine;4-(3-tert-butylphenoxy)oxane;N-(3-tert-butylphenyl)-N-ethyloxan-4-amine;4-[(3-tert-butylphenyl)methyl]morpholine;3-[(3-tert-butylphenyl)methyl]oxetane;3-[(3-tert-butylphenyl)methyl]oxolane;2-(3-tert-butylphenyl)pyrrolidine;2-tert-butylpyridine;3-tert-butylpyridine

C170H259N9O10 — CID 157092585

IUPACN-(3-tert-butyl-2-methylphenyl)-N-ethyloxan-4-amine;N-(3-tert-butyl-2-methylphenyl)oxan-4-amine;3-tert-butyl-5-(oxan-4-ylmethyl)pyridine;2-(3-tert-butylphenoxy)-N-methylethanamine;4-(3-tert-butylphenoxy)oxane;N-(3-tert-butylphenyl)-N-ethyloxan-4-amine;4-[(3-tert-butylphenyl)methyl]morpholine;3-[(3-tert-butylphenyl)methyl]oxetane;3-[(3-tert-butylphenyl)methyl]oxolane;2-(3-tert-butylphenyl)pyrrolidine;2-tert-butylpyridine;3-tert-butylpyridine
SMILESCC(C)(C)c1cccc(C2CCCN2)c1.CC(C)(C)c1cccc(CC2CCOC2)c1.CC(C)(C)c1cccc(CC2COC2)c1.CC(C)(C)c1cccc(CN2CCOCC2)c1.CC(C)(C)c1cccc(OC2CCOCC2)c1.CC(C)(C)c1ccccn1.CC(C)(C)c1cccnc1.CC(C)(C)c1cncc(CC2CCOCC2)c1.CCN(c1cccc(C(C)(C)C)c1)C1CCOCC1.CCN(c1cccc(C(C)(C)C)c1C)C1CCOCC1.CNCCOc1cccc(C(C)(C)C)c1.Cc1c(NC2CCOCC2)cccc1C(C)(C)C
InChIInChI=1S/C18H29NO.C17H27NO.C16H25NO.2C15H23NO.C15H22O2.C15H22O.C14H21N.C14H20O.C13H21NO.2C9H13N/c1-6-19(15-10-12-20-13-11-15)17-9-7-8-16(14(17)2)18(3,4)5;1-5-18(15-9-11-19-12-10-15)16-8-6-7-14(13-16)17(2,3)4;1-12-14(16(2,3)4)6-5-7-15(12)17-13-8-10-18-11-9-13;1-15(2,3)14-9-13(10-16-11-14)8-12-4-6-17-7-5-12;1-15(2,3)14-6-4-5-13(11-14)12-16-7-9-17-10-8-16;1-15(2,3)12-5-4-6-14(11-12)17-13-7-9-16-10-8-13;1-15(2,3)14-6-4-5-12(10-14)9-13-7-8-16-11-13;1-14(2,3)12-7-4-6-11(10-12)13-8-5-9-15-13;1-14(2,3)13-6-4-5-11(8-13)7-12-9-15-10-12;1-13(2,3)11-6-5-7-12(10-11)15-9-8-14-4;1-9(2,3)8-5-4-6-10-7-8;1-9(2,3)8-6-4-5-7-10-8/h7-9,15H,6,10-13H2,1-5H3;6-8,13,15H,5,9-12H2,1-4H3;5-7,13,17H,8-11H2,1-4H3;9-12H,4-8H2,1-3H3;4-6,11H,7-10,12H2,1-3H3;4-6,11,13H,7-10H2,1-3H3;4-6,10,13H,7-9,11H2,1-3H3;4,6-7,10,13,15H,5,8-9H2,1-3H3;4-6,8,12H,7,9-10H2,1-3H3;5-7,10,14H,8-9H2,1-4H3;2*4-7H,1-3H3
InChIKeyAEVIYVLOQIBKFA-UHFFFAOYSA-N
MW2588.99 g/mol
LogP39.36
Rot. Bonds23

About N-(3-tert-butyl-2-methylphenyl)-N-ethyloxan-4-amine;N-(3-tert-butyl-2-methylphenyl)oxan-4-amine;3-tert-butyl-5-(oxan-4-ylmethyl)pyridine;2-(3-tert-butylphenoxy)-N-methylethanamine;4-(3-tert-butylphenoxy)oxane;N-(3-tert-butylphenyl)-N-ethyloxan-4-amine;4-[(3-tert-butylphenyl)methyl]morpholine;3-[(3-tert-butylphenyl)methyl]oxetane;3-[(3-tert-butylphenyl)methyl]oxolane;2-(3-tert-butylphenyl)pyrrolidine;2-tert-butylpyridine;3-tert-butylpyridine

N-(3-tert-butyl-2-methylphenyl)-N-ethyloxan-4-amine;N-(3-tert-butyl-2-methylphenyl)oxan-4-amine;3-tert-butyl-5-(oxan-4-ylmethyl)pyridine;2-(3-tert-butylphenoxy)-N-methylethanamine;4-(3-tert-butylphenoxy)oxane;N-(3-tert-butylphenyl)-N-ethyloxan-4-amine;4-[(3-tert-butylphenyl)methyl]morpholine;3-[(3-tert-butylphenyl)methyl]oxetane;3-[(3-tert-butylphenyl)methyl]oxolane;2-(3-tert-butylphenyl)pyrrolidine;2-tert-butylpyridine;3-tert-butylpyridine (PubChem CID 157092585) has the molecular formula C170H259N9O10 and a molecular weight of 2588.99 g/mol. Its IUPAC name is N-(3-tert-butyl-2-methylphenyl)-N-ethyloxan-4-amine;N-(3-tert-butyl-2-methylphenyl)oxan-4-amine;3-tert-butyl-5-(oxan-4-ylmethyl)pyridine;2-(3-tert-butylphenoxy)-N-methylethanamine;4-(3-tert-butylphenoxy)oxane;N-(3-tert-butylphenyl)-N-ethyloxan-4-amine;4-[(3-tert-butylphenyl)methyl]morpholine;3-[(3-tert-butylphenyl)methyl]oxetane;3-[(3-tert-butylphenyl)methyl]oxolane;2-(3-tert-butylphenyl)pyrrolidine;2-tert-butylpyridine;3-tert-butylpyridine.

Molecular Properties

Compound NameN-(3-tert-butyl-2-methylphenyl)-N-ethyloxan-4-amine;N-(3-tert-butyl-2-methylphenyl)oxan-4-amine;3-tert-butyl-5-(oxan-4-ylmethyl)pyridine;2-(3-tert-butylphenoxy)-N-methylethanamine;4-(3-tert-butylphenoxy)oxane;N-(3-tert-butylphenyl)-N-ethyloxan-4-amine;4-[(3-tert-butylphenyl)methyl]morpholine;3-[(3-tert-butylphenyl)methyl]oxetane;3-[(3-tert-butylphenyl)methyl]oxolane;2-(3-tert-butylphenyl)pyrrolidine;2-tert-butylpyridine;3-tert-butylpyridine
PubChem CID157092585
Molecular FormulaC170H259N9O10
Molecular Weight2588.99 g/mol
Exact Mass2587.00
IUPAC NameN-(3-tert-butyl-2-methylphenyl)-N-ethyloxan-4-amine;N-(3-tert-butyl-2-methylphenyl)oxan-4-amine;3-tert-butyl-5-(oxan-4-ylmethyl)pyridine;2-(3-tert-butylphenoxy)-N-methylethanamine;4-(3-tert-butylphenoxy)oxane;N-(3-tert-butylphenyl)-N-ethyloxan-4-amine;4-[(3-tert-butylphenyl)methyl]morpholine;3-[(3-tert-butylphenyl)methyl]oxetane;3-[(3-tert-butylphenyl)methyl]oxolane;2-(3-tert-butylphenyl)pyrrolidine;2-tert-butylpyridine;3-tert-butylpyridine
SMILESCC(C)(C)c1cccc(C2CCCN2)c1.CC(C)(C)c1cccc(CC2CCOC2)c1.CC(C)(C)c1cccc(CC2COC2)c1.CC(C)(C)c1cccc(CN2CCOCC2)c1.CC(C)(C)c1cccc(OC2CCOCC2)c1.CC(C)(C)c1ccccn1.CC(C)(C)c1cccnc1.CC(C)(C)c1cncc(CC2CCOCC2)c1.CCN(c1cccc(C(C)(C)C)c1)C1CCOCC1.CCN(c1cccc(C(C)(C)C)c1C)C1CCOCC1.CNCCOc1cccc(C(C)(C)C)c1.Cc1c(NC2CCOCC2)cccc1C(C)(C)C
InChIInChI=1S/C18H29NO.C17H27NO.C16H25NO.2C15H23NO.C15H22O2.C15H22O.C14H21N.C14H20O.C13H21NO.2C9H13N/c1-6-19(15-10-12-20-13-11-15)17-9-7-8-16(14(17)2)18(3,4)5;1-5-18(15-9-11-19-12-10-15)16-8-6-7-14(13-16)17(2,3)4;1-12-14(16(2,3)4)6-5-7-15(12)17-13-8-10-18-11-9-13;1-15(2,3)14-9-13(10-16-11-14)8-12-4-6-17-7-5-12;1-15(2,3)14-6-4-5-13(11-14)12-16-7-9-17-10-8-16;1-15(2,3)12-5-4-6-14(11-12)17-13-7-9-16-10-8-13;1-15(2,3)14-6-4-5-12(10-14)9-13-7-8-16-11-13;1-14(2,3)12-7-4-6-11(10-12)13-8-5-9-15-13;1-14(2,3)13-6-4-5-11(8-13)7-12-9-15-10-12;1-13(2,3)11-6-5-7-12(10-11)15-9-8-14-4;1-9(2,3)8-5-4-6-10-7-8;1-9(2,3)8-6-4-5-7-10-8/h7-9,15H,6,10-13H2,1-5H3;6-8,13,15H,5,9-12H2,1-4H3;5-7,13,17H,8-11H2,1-4H3;9-12H,4-8H2,1-3H3;4-6,11H,7-10,12H2,1-3H3;4-6,11,13H,7-10H2,1-3H3;4-6,10,13H,7-9,11H2,1-3H3;4,6-7,10,13,15H,5,8-9H2,1-3H3;4-6,8,12H,7,9-10H2,1-3H3;5-7,10,14H,8-9H2,1-4H3;2*4-7H,1-3H3
InChIKeyAEVIYVLOQIBKFA-UHFFFAOYSA-N
XLogP39.36
TPSA176.78 Ų
H-Bond Donors3
H-Bond Acceptors19
Rotatable Bonds23
Heavy Atoms189
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002588.99
LogP ≤ 539.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(3-tert-butyl-2-methylphenyl)-N-ethyloxan-4-amine;N-(3-tert-butyl-2-methylphenyl)oxan-4-amine;3-tert-butyl-5-(oxan-4-ylmethyl)pyridine;2-(3-tert-butylphenoxy)-N-methylethanamine;4-(3-tert-butylphenoxy)oxane;N-(3-tert-butylphenyl)-N-ethyloxan-4-amine;4-[(3-tert-butylphenyl)methyl]morpholine;3-[(3-tert-butylphenyl)methyl]oxetane;3-[(3-tert-butylphenyl)methyl]oxolane;2-(3-tert-butylphenyl)pyrrolidine;2-tert-butylpyridine;3-tert-butylpyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(3-tert-butyl-2-methylphenyl)-N-ethyloxan-4-amine;N-(3-tert-butyl-2-methylphenyl)oxan-4-amine;3-tert-butyl-5-(oxan-4-ylmethyl)pyridine;2-(3-tert-butylphenoxy)-N-methylethanamine;4-(3-tert-butylphenoxy)oxane;N-(3-tert-butylphenyl)-N-ethyloxan-4-amine;4-[(3-tert-butylphenyl)methyl]morpholine;3-[(3-tert-butylphenyl)methyl]oxetane;3-[(3-tert-butylphenyl)methyl]oxolane;2-(3-tert-butylphenyl)pyrrolidine;2-tert-butylpyridine;3-tert-butylpyridine?
The IUPAC name of N-(3-tert-butyl-2-methylphenyl)-N-ethyloxan-4-amine;N-(3-tert-butyl-2-methylphenyl)oxan-4-amine;3-tert-butyl-5-(oxan-4-ylmethyl)pyridine;2-(3-tert-butylphenoxy)-N-methylethanamine;4-(3-tert-butylphenoxy)oxane;N-(3-tert-butylphenyl)-N-ethyloxan-4-amine;4-[(3-tert-butylphenyl)methyl]morpholine;3-[(3-tert-butylphenyl)methyl]oxetane;3-[(3-tert-butylphenyl)methyl]oxolane;2-(3-tert-butylphenyl)pyrrolidine;2-tert-butylpyridine;3-tert-butylpyridine (CID 157092585) is N-(3-tert-butyl-2-methylphenyl)-N-ethyloxan-4-amine;N-(3-tert-butyl-2-methylphenyl)oxan-4-amine;3-tert-butyl-5-(oxan-4-ylmethyl)pyridine;2-(3-tert-butylphenoxy)-N-methylethanamine;4-(3-tert-butylphenoxy)oxane;N-(3-tert-butylphenyl)-N-ethyloxan-4-amine;4-[(3-tert-butylphenyl)methyl]morpholine;3-[(3-tert-butylphenyl)methyl]oxetane;3-[(3-tert-butylphenyl)methyl]oxolane;2-(3-tert-butylphenyl)pyrrolidine;2-tert-butylpyridine;3-tert-butylpyridine.
What is the SMILES notation for N-(3-tert-butyl-2-methylphenyl)-N-ethyloxan-4-amine;N-(3-tert-butyl-2-methylphenyl)oxan-4-amine;3-tert-butyl-5-(oxan-4-ylmethyl)pyridine;2-(3-tert-butylphenoxy)-N-methylethanamine;4-(3-tert-butylphenoxy)oxane;N-(3-tert-butylphenyl)-N-ethyloxan-4-amine;4-[(3-tert-butylphenyl)methyl]morpholine;3-[(3-tert-butylphenyl)methyl]oxetane;3-[(3-tert-butylphenyl)methyl]oxolane;2-(3-tert-butylphenyl)pyrrolidine;2-tert-butylpyridine;3-tert-butylpyridine?
The canonical SMILES for N-(3-tert-butyl-2-methylphenyl)-N-ethyloxan-4-amine;N-(3-tert-butyl-2-methylphenyl)oxan-4-amine;3-tert-butyl-5-(oxan-4-ylmethyl)pyridine;2-(3-tert-butylphenoxy)-N-methylethanamine;4-(3-tert-butylphenoxy)oxane;N-(3-tert-butylphenyl)-N-ethyloxan-4-amine;4-[(3-tert-butylphenyl)methyl]morpholine;3-[(3-tert-butylphenyl)methyl]oxetane;3-[(3-tert-butylphenyl)methyl]oxolane;2-(3-tert-butylphenyl)pyrrolidine;2-tert-butylpyridine;3-tert-butylpyridine is CC(C)(C)c1cccc(C2CCCN2)c1.CC(C)(C)c1cccc(CC2CCOC2)c1.CC(C)(C)c1cccc(CC2COC2)c1.CC(C)(C)c1cccc(CN2CCOCC2)c1.CC(C)(C)c1cccc(OC2CCOCC2)c1.CC(C)(C)c1ccccn1.CC(C)(C)c1cccnc1.CC(C)(C)c1cncc(CC2CCOCC2)c1.CCN(c1cccc(C(C)(C)C)c1)C1CCOCC1.CCN(c1cccc(C(C)(C)C)c1C)C1CCOCC1.CNCCOc1cccc(C(C)(C)C)c1.Cc1c(NC2CCOCC2)cccc1C(C)(C)C.
What is the InChIKey of N-(3-tert-butyl-2-methylphenyl)-N-ethyloxan-4-amine;N-(3-tert-butyl-2-methylphenyl)oxan-4-amine;3-tert-butyl-5-(oxan-4-ylmethyl)pyridine;2-(3-tert-butylphenoxy)-N-methylethanamine;4-(3-tert-butylphenoxy)oxane;N-(3-tert-butylphenyl)-N-ethyloxan-4-amine;4-[(3-tert-butylphenyl)methyl]morpholine;3-[(3-tert-butylphenyl)methyl]oxetane;3-[(3-tert-butylphenyl)methyl]oxolane;2-(3-tert-butylphenyl)pyrrolidine;2-tert-butylpyridine;3-tert-butylpyridine?
The InChIKey is AEVIYVLOQIBKFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO.C17H27NO.C16H25NO.2C15H23NO.C15H22O2.C15H22O.C14H21N.C14H20O.C13H21NO.2C9H13N/c1-6-19(15-10-12-20-13-11-15)17-9-7-8-16(14(17)2)18(3,4)5;1-5-18(15-9-11-19-12-10-15)16-8-6-7-14(13-16)17(2,3)4;1-12-14(16(2,3)4)6-5-7-15(12)17-13-8-10-18-11-9-13;1-15(2,3)14-9-13(10-16-11-14)8-12-4-6-17-7-5-12;1-15(2,3)14-6-4-5-13(11-14)12-16-7-9-17-10-8-16;1-15(2,3)12-5-4-6-14(11-12)17-13-7-9-16-10-8-13;1-15(2,3)14-6-4-5-12(10-14)9-13-7-8-16-11-13;1-14(2,3)12-7-4-6-11(10-12)13-8-5-9-15-13;1-14(2,3)13-6-4-5-11(8-13)7-12-9-15-10-12;1-13(2,3)11-6-5-7-12(10-11)15-9-8-14-4;1-9(2,3)8-5-4-6-10-7-8;1-9(2,3)8-6-4-5-7-10-8/h7-9,15H,6,10-13H2,1-5H3;6-8,13,15H,5,9-12H2,1-4H3;5-7,13,17H,8-11H2,1-4H3;9-12H,4-8H2,1-3H3;4-6,11H,7-10,12H2,1-3H3;4-6,11,13H,7-10H2,1-3H3;4-6,10,13H,7-9,11H2,1-3H3;4,6-7,10,13,15H,5,8-9H2,1-3H3;4-6,8,12H,7,9-10H2,1-3H3;5-7,10,14H,8-9H2,1-4H3;2*4-7H,1-3H3.
What are the key properties of N-(3-tert-butyl-2-methylphenyl)-N-ethyloxan-4-amine;N-(3-tert-butyl-2-methylphenyl)oxan-4-amine;3-tert-butyl-5-(oxan-4-ylmethyl)pyridine;2-(3-tert-butylphenoxy)-N-methylethanamine;4-(3-tert-butylphenoxy)oxane;N-(3-tert-butylphenyl)-N-ethyloxan-4-amine;4-[(3-tert-butylphenyl)methyl]morpholine;3-[(3-tert-butylphenyl)methyl]oxetane;3-[(3-tert-butylphenyl)methyl]oxolane;2-(3-tert-butylphenyl)pyrrolidine;2-tert-butylpyridine;3-tert-butylpyridine?
N-(3-tert-butyl-2-methylphenyl)-N-ethyloxan-4-amine;N-(3-tert-butyl-2-methylphenyl)oxan-4-amine;3-tert-butyl-5-(oxan-4-ylmethyl)pyridine;2-(3-tert-butylphenoxy)-N-methylethanamine;4-(3-tert-butylphenoxy)oxane;N-(3-tert-butylphenyl)-N-ethyloxan-4-amine;4-[(3-tert-butylphenyl)methyl]morpholine;3-[(3-tert-butylphenyl)methyl]oxetane;3-[(3-tert-butylphenyl)methyl]oxolane;2-(3-tert-butylphenyl)pyrrolidine;2-tert-butylpyridine;3-tert-butylpyridine has a molecular weight of 2588.99 g/mol, XLogP of 39.36, 23 rotatable bonds, 3 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-tert-butyl-2-methylphenyl)-N-ethyloxan-4-amine;N-(3-tert-butyl-2-methylphenyl)oxan-4-amine;3-tert-butyl-5-(oxan-4-ylmethyl)pyridine;2-(3-tert-butylphenoxy)-N-methylethanamine;4-(3-tert-butylphenoxy)oxane;N-(3-tert-butylphenyl)-N-ethyloxan-4-amine;4-[(3-tert-butylphenyl)methyl]morpholine;3-[(3-tert-butylphenyl)methyl]oxetane;3-[(3-tert-butylphenyl)methyl]oxolane;2-(3-tert-butylphenyl)pyrrolidine;2-tert-butylpyridine;3-tert-butylpyridine is sourced from PubChem (CID 157092585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).