N-[(4-ethoxyoxan-4-yl)-(1-propylimidazol-2-yl)methyl]ethanamine

C16H29N3O2 — CID 116765859

IUPACN-[(4-ethoxyoxan-4-yl)-(1-propylimidazol-2-yl)methyl]ethanamine
SMILESCCCn1ccnc1C(NCC)C1(OCC)CCOCC1
InChIInChI=1S/C16H29N3O2/c1-4-10-19-11-9-18-15(19)14(17-5-2)16(21-6-3)7-12-20-13-8-16/h9,11,14,17H,4-8,10,12-13H2,1-3H3
InChIKeyKSLZDCRPFMDOGQ-UHFFFAOYSA-N
MW295.43 g/mol
LogP2.53
Rot. Bonds8

About N-[(4-ethoxyoxan-4-yl)-(1-propylimidazol-2-yl)methyl]ethanamine

N-[(4-ethoxyoxan-4-yl)-(1-propylimidazol-2-yl)methyl]ethanamine (PubChem CID 116765859) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is N-[(4-ethoxyoxan-4-yl)-(1-propylimidazol-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-ethoxyoxan-4-yl)-(1-propylimidazol-2-yl)methyl]ethanamine
PubChem CID116765859
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC NameN-[(4-ethoxyoxan-4-yl)-(1-propylimidazol-2-yl)methyl]ethanamine
SMILESCCCn1ccnc1C(NCC)C1(OCC)CCOCC1
InChIInChI=1S/C16H29N3O2/c1-4-10-19-11-9-18-15(19)14(17-5-2)16(21-6-3)7-12-20-13-8-16/h9,11,14,17H,4-8,10,12-13H2,1-3H3
InChIKeyKSLZDCRPFMDOGQ-UHFFFAOYSA-N
XLogP2.53
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(4-ethoxyoxan-4-yl)-(1-propylimidazol-2-yl)methyl]ethanamine with MolForge

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Related Compounds

N-[(4-ethoxyoxan-4-yl)-(1-ethylimidazol-2-yl)methyl]ethanamine
CID 116765818
[(1-ethoxycyclopentyl)-(1-propylimidazol-2-yl)methyl]hydrazine
CID 105275723
N-[(1-ethoxycycloheptyl)-(1-methylimidazol-2-yl)methyl]ethanamine
CID 116770958
[1-(4-ethoxyoxan-4-yl)-2-(1-propylimidazol-2-yl)ethyl]hydrazine
CID 105276954
N-[(4-ethoxyoxan-4-yl)-(6-methyl-3-pyridinyl)methyl]ethanamine
CID 116765942
N-[(4-ethoxyoxan-4-yl)-(1-ethylpyrazol-4-yl)methyl]ethanamine
CID 116765796
N-ethyl-2-methyl-2-morpholin-4-yl-1-(1-propylimidazol-2-yl)propan-1-amine
CID 79051327
N-[(4-ethoxyoxan-4-yl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]ethanamine
CID 114661923
N-[3,4-dihydro-2H-pyran-5-yl-(4-ethoxyoxan-4-yl)methyl]ethanamine
CID 116765938
N-[(1-ethoxy-4-methylcyclohexyl)-(1-methylimidazol-2-yl)methyl]propan-1-amine
CID 116767387
[(1-ethoxycyclohexyl)-(1-methylimidazol-2-yl)methyl]hydrazine
CID 105276310
N-ethyl-2-methyl-1-(1-propylimidazol-2-yl)propan-1-amine
CID 63967916

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxyoxan-4-yl)-(1-propylimidazol-2-yl)methyl]ethanamine?
The IUPAC name of N-[(4-ethoxyoxan-4-yl)-(1-propylimidazol-2-yl)methyl]ethanamine (CID 116765859) is N-[(4-ethoxyoxan-4-yl)-(1-propylimidazol-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(4-ethoxyoxan-4-yl)-(1-propylimidazol-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(4-ethoxyoxan-4-yl)-(1-propylimidazol-2-yl)methyl]ethanamine is CCCn1ccnc1C(NCC)C1(OCC)CCOCC1.
What is the InChIKey of N-[(4-ethoxyoxan-4-yl)-(1-propylimidazol-2-yl)methyl]ethanamine?
The InChIKey is KSLZDCRPFMDOGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2/c1-4-10-19-11-9-18-15(19)14(17-5-2)16(21-6-3)7-12-20-13-8-16/h9,11,14,17H,4-8,10,12-13H2,1-3H3.
What are the key properties of N-[(4-ethoxyoxan-4-yl)-(1-propylimidazol-2-yl)methyl]ethanamine?
N-[(4-ethoxyoxan-4-yl)-(1-propylimidazol-2-yl)methyl]ethanamine has a molecular weight of 295.43 g/mol, XLogP of 2.53, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxyoxan-4-yl)-(1-propylimidazol-2-yl)methyl]ethanamine is sourced from PubChem (CID 116765859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).