3,5,5-trimethyl-N-propan-2-yl-2-(propylaminomethyl)cyclohexan-1-amine

C16H34N2 — CID 141176584

IUPAC3,5,5-trimethyl-N-propan-2-yl-2-(propylaminomethyl)cyclohexan-1-amine
SMILESCCCNCC1C(C)CC(C)(C)CC1NC(C)C
InChIInChI=1S/C16H34N2/c1-7-8-17-11-14-13(4)9-16(5,6)10-15(14)18-12(2)3/h12-15,17-18H,7-11H2,1-6H3
InChIKeySMHJWEKMNAFCIL-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.42
Rot. Bonds6

About 3,5,5-trimethyl-N-propan-2-yl-2-(propylaminomethyl)cyclohexan-1-amine

3,5,5-trimethyl-N-propan-2-yl-2-(propylaminomethyl)cyclohexan-1-amine (PubChem CID 141176584) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is 3,5,5-trimethyl-N-propan-2-yl-2-(propylaminomethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name3,5,5-trimethyl-N-propan-2-yl-2-(propylaminomethyl)cyclohexan-1-amine
PubChem CID141176584
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC Name3,5,5-trimethyl-N-propan-2-yl-2-(propylaminomethyl)cyclohexan-1-amine
SMILESCCCNCC1C(C)CC(C)(C)CC1NC(C)C
InChIInChI=1S/C16H34N2/c1-7-8-17-11-14-13(4)9-16(5,6)10-15(14)18-12(2)3/h12-15,17-18H,7-11H2,1-6H3
InChIKeySMHJWEKMNAFCIL-UHFFFAOYSA-N
XLogP3.42
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,5,5-trimethyl-1-N,3-N-di(propan-2-yl)cyclohexane-1,3-diamine
CID 18780189
N-propan-2-yl-2-[[(1R,2S)-2,4,4-trimethylcyclopentyl]amino]ethanesulfonamide
CID 99838091
2,4,4-trimethyl-N-(3-methylbutyl)cyclopentan-1-amine
CID 106661565
N-[[(1R,2S)-2-methylcyclopropyl]methyl]propan-1-amine
CID 93261342
N'-[(2,2-dimethylcyclopropyl)methyl]-N-propylpropane-1,3-diamine
CID 107001505
2,4,4-trimethyl-N-(1-methylsulfinylpropan-2-yl)cyclopentan-1-amine
CID 106662802
2,4,4-trimethyl-N-(2-methylcyclopropyl)cyclopentan-1-amine
CID 106662465
2,4,4-trimethyl-N-propylcyclohexan-1-amine
CID 81308091
3-[(2,4,4-trimethylcyclopentyl)amino]propanoic acid
CID 106661765
N-(2-methoxypropyl)-2,4,4-trimethylcyclopentan-1-amine
CID 106662856
4-methyl-2-[(2,4,4-trimethylcyclopentyl)amino]pentanoic acid
CID 106662419
N-[1-(2,2-dimethylcyclopropyl)ethyl]propan-1-amine
CID 107004121

Frequently Asked Questions

What is the IUPAC name of 3,5,5-trimethyl-N-propan-2-yl-2-(propylaminomethyl)cyclohexan-1-amine?
The IUPAC name of 3,5,5-trimethyl-N-propan-2-yl-2-(propylaminomethyl)cyclohexan-1-amine (CID 141176584) is 3,5,5-trimethyl-N-propan-2-yl-2-(propylaminomethyl)cyclohexan-1-amine.
What is the SMILES notation for 3,5,5-trimethyl-N-propan-2-yl-2-(propylaminomethyl)cyclohexan-1-amine?
The canonical SMILES for 3,5,5-trimethyl-N-propan-2-yl-2-(propylaminomethyl)cyclohexan-1-amine is CCCNCC1C(C)CC(C)(C)CC1NC(C)C.
What is the InChIKey of 3,5,5-trimethyl-N-propan-2-yl-2-(propylaminomethyl)cyclohexan-1-amine?
The InChIKey is SMHJWEKMNAFCIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-7-8-17-11-14-13(4)9-16(5,6)10-15(14)18-12(2)3/h12-15,17-18H,7-11H2,1-6H3.
What are the key properties of 3,5,5-trimethyl-N-propan-2-yl-2-(propylaminomethyl)cyclohexan-1-amine?
3,5,5-trimethyl-N-propan-2-yl-2-(propylaminomethyl)cyclohexan-1-amine has a molecular weight of 254.46 g/mol, XLogP of 3.42, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,5-trimethyl-N-propan-2-yl-2-(propylaminomethyl)cyclohexan-1-amine is sourced from PubChem (CID 141176584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).