N-tert-butyl-4-(5-methyl-2-propan-2-ylcyclohexyl)oxybutan-1-amine

C18H37NO — CID 62445917

IUPACN-tert-butyl-4-(5-methyl-2-propan-2-ylcyclohexyl)oxybutan-1-amine
SMILESCC1CCC(C(C)C)C(OCCCCNC(C)(C)C)C1
InChIInChI=1S/C18H37NO/c1-14(2)16-10-9-15(3)13-17(16)20-12-8-7-11-19-18(4,5)6/h14-17,19H,7-13H2,1-6H3
InChIKeyFGULFRJAMPOMHP-UHFFFAOYSA-N
MW283.50 g/mol
LogP4.63
Rot. Bonds7

About N-tert-butyl-4-(5-methyl-2-propan-2-ylcyclohexyl)oxybutan-1-amine

N-tert-butyl-4-(5-methyl-2-propan-2-ylcyclohexyl)oxybutan-1-amine (PubChem CID 62445917) has the molecular formula C18H37NO and a molecular weight of 283.50 g/mol. Its IUPAC name is N-tert-butyl-4-(5-methyl-2-propan-2-ylcyclohexyl)oxybutan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-4-(5-methyl-2-propan-2-ylcyclohexyl)oxybutan-1-amine
PubChem CID62445917
Molecular FormulaC18H37NO
Molecular Weight283.50 g/mol
Exact Mass283.29
IUPAC NameN-tert-butyl-4-(5-methyl-2-propan-2-ylcyclohexyl)oxybutan-1-amine
SMILESCC1CCC(C(C)C)C(OCCCCNC(C)(C)C)C1
InChIInChI=1S/C18H37NO/c1-14(2)16-10-9-15(3)13-17(16)20-12-8-7-11-19-18(4,5)6/h14-17,19H,7-13H2,1-6H3
InChIKeyFGULFRJAMPOMHP-UHFFFAOYSA-N
XLogP4.63
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.50
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-1-ol
CID 16734861
2,2-dimethyl-6-(5-methyl-2-propan-2-ylcyclohexyl)oxyhexan-1-amine
CID 106708589
5-(5-methyl-2-propan-2-ylcyclohexyl)oxypentan-1-amine
CID 54966296
N-(2-methoxyethyl)-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-1-amine
CID 55088056
3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropane-1-sulfonic acid
CID 87267060
4-methyl-1-propan-2-yl-2-propoxycyclohexane
CID 54499043
4-methyl-N-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethyl]pentan-1-amine
CID 63505523
N-(cyclopropylmethyl)-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethanamine
CID 62572050
(1S,2R,4R)-2-(2-bromoethoxy)-4-methyl-1-propan-2-ylcyclohexane
CID 22883721
2-[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyethanol
CID 11651336
2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyethanethiol
CID 131866620
1-cyclopropyl-N-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethyl]ethanamine
CID 55088055

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-(5-methyl-2-propan-2-ylcyclohexyl)oxybutan-1-amine?
The IUPAC name of N-tert-butyl-4-(5-methyl-2-propan-2-ylcyclohexyl)oxybutan-1-amine (CID 62445917) is N-tert-butyl-4-(5-methyl-2-propan-2-ylcyclohexyl)oxybutan-1-amine.
What is the SMILES notation for N-tert-butyl-4-(5-methyl-2-propan-2-ylcyclohexyl)oxybutan-1-amine?
The canonical SMILES for N-tert-butyl-4-(5-methyl-2-propan-2-ylcyclohexyl)oxybutan-1-amine is CC1CCC(C(C)C)C(OCCCCNC(C)(C)C)C1.
What is the InChIKey of N-tert-butyl-4-(5-methyl-2-propan-2-ylcyclohexyl)oxybutan-1-amine?
The InChIKey is FGULFRJAMPOMHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37NO/c1-14(2)16-10-9-15(3)13-17(16)20-12-8-7-11-19-18(4,5)6/h14-17,19H,7-13H2,1-6H3.
What are the key properties of N-tert-butyl-4-(5-methyl-2-propan-2-ylcyclohexyl)oxybutan-1-amine?
N-tert-butyl-4-(5-methyl-2-propan-2-ylcyclohexyl)oxybutan-1-amine has a molecular weight of 283.50 g/mol, XLogP of 4.63, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-(5-methyl-2-propan-2-ylcyclohexyl)oxybutan-1-amine is sourced from PubChem (CID 62445917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).