N-[(4-methylcyclohexyl)methyl]nonan-2-amine

C17H35N — CID 63464065

IUPACN-[(4-methylcyclohexyl)methyl]nonan-2-amine
SMILESCCCCCCCC(C)NCC1CCC(C)CC1
InChIInChI=1S/C17H35N/c1-4-5-6-7-8-9-16(3)18-14-17-12-10-15(2)11-13-17/h15-18H,4-14H2,1-3H3
InChIKeyFQMSYUQPHRPRAD-UHFFFAOYSA-N
MW253.47 g/mol
LogP5.15
Rot. Bonds9

About N-[(4-methylcyclohexyl)methyl]nonan-2-amine

N-[(4-methylcyclohexyl)methyl]nonan-2-amine (PubChem CID 63464065) has the molecular formula C17H35N and a molecular weight of 253.47 g/mol. Its IUPAC name is N-[(4-methylcyclohexyl)methyl]nonan-2-amine.

Molecular Properties

Compound NameN-[(4-methylcyclohexyl)methyl]nonan-2-amine
PubChem CID63464065
Molecular FormulaC17H35N
Molecular Weight253.47 g/mol
Exact Mass253.28
IUPAC NameN-[(4-methylcyclohexyl)methyl]nonan-2-amine
SMILESCCCCCCCC(C)NCC1CCC(C)CC1
InChIInChI=1S/C17H35N/c1-4-5-6-7-8-9-16(3)18-14-17-12-10-15(2)11-13-17/h15-18H,4-14H2,1-3H3
InChIKeyFQMSYUQPHRPRAD-UHFFFAOYSA-N
XLogP5.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500253.47
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[(4-methylcyclohexyl)methyl]nonan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(cyclobutylmethyl)octan-2-amine
CID 43298239
N-[(2-methylcyclohexyl)methyl]nonan-2-amine
CID 63455367
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]octan-2-amine
CID 60855640
N-[(1,1-dioxothiolan-3-yl)methyl]octan-2-amine
CID 54915595
4-methyl-N-[(4-methylcyclohexyl)methyl]pentan-2-amine
CID 63243107
N-[(4-methylcyclohexyl)methyl]-1-methylsulfonylpropan-2-amine
CID 64629762
N-[(5,5-dimethyloxolan-2-yl)methyl]octan-2-amine
CID 116521320
(2R)-N-[[(2S)-oxolan-2-yl]methyl]octan-2-amine
CID 28879278
1-[(heptan-2-ylamino)methyl]-4-methylcyclohexan-1-ol
CID 65115663
N-[(4-methylcyclohexyl)methyl]decan-1-amine
CID 63490905
N-(2-bicyclo[2.2.1]heptanylmethyl)octan-2-amine
CID 55232030
N-(pyrrolidin-3-ylmethyl)hexan-2-amine
CID 63006351

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylcyclohexyl)methyl]nonan-2-amine?
The IUPAC name of N-[(4-methylcyclohexyl)methyl]nonan-2-amine (CID 63464065) is N-[(4-methylcyclohexyl)methyl]nonan-2-amine.
What is the SMILES notation for N-[(4-methylcyclohexyl)methyl]nonan-2-amine?
The canonical SMILES for N-[(4-methylcyclohexyl)methyl]nonan-2-amine is CCCCCCCC(C)NCC1CCC(C)CC1.
What is the InChIKey of N-[(4-methylcyclohexyl)methyl]nonan-2-amine?
The InChIKey is FQMSYUQPHRPRAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N/c1-4-5-6-7-8-9-16(3)18-14-17-12-10-15(2)11-13-17/h15-18H,4-14H2,1-3H3.
What are the key properties of N-[(4-methylcyclohexyl)methyl]nonan-2-amine?
N-[(4-methylcyclohexyl)methyl]nonan-2-amine has a molecular weight of 253.47 g/mol, XLogP of 5.15, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylcyclohexyl)methyl]nonan-2-amine is sourced from PubChem (CID 63464065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).