N-[(2-hexyl-4-methylcyclohexyl)methyl]propan-2-amine

C17H35N — CID 81031373

IUPACN-[(2-hexyl-4-methylcyclohexyl)methyl]propan-2-amine
SMILESCCCCCCC1CC(C)CCC1CNC(C)C
InChIInChI=1S/C17H35N/c1-5-6-7-8-9-16-12-15(4)10-11-17(16)13-18-14(2)3/h14-18H,5-13H2,1-4H3
InChIKeyZKQKAFOVAFFGNI-UHFFFAOYSA-N
MW253.47 g/mol
LogP5.01
Rot. Bonds8

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

N-[(2-hexyl-4-methylcyclohexyl)methyl]propan-2-amine (PubChem CID 81031373) has the molecular formula C17H35N and a molecular weight of 253.47 g/mol. Its IUPAC name is N-[(2-hexyl-4-methylcyclohexyl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(2-hexyl-4-methylcyclohexyl)methyl]propan-2-amine
PubChem CID81031373
Molecular FormulaC17H35N
Molecular Weight253.47 g/mol
Exact Mass253.28
IUPAC NameN-[(2-hexyl-4-methylcyclohexyl)methyl]propan-2-amine
SMILESCCCCCCC1CC(C)CCC1CNC(C)C
InChIInChI=1S/C17H35N/c1-5-6-7-8-9-16-12-15(4)10-11-17(16)13-18-14(2)3/h14-18H,5-13H2,1-4H3
InChIKeyZKQKAFOVAFFGNI-UHFFFAOYSA-N
XLogP5.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500253.47
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-methyl-2-nonylcyclohexyl)methyl]propan-2-amine
CID 81034416
N-methyl-1-(4-methyl-2-nonylcyclohexyl)methanamine
CID 81025245
N-[[2-(2-ethylsulfonylethyl)-4-methylcyclohexyl]methyl]propan-2-amine
CID 106735579
2-methyl-N-[(4-methyl-2-octylcyclohexyl)methyl]propan-2-amine
CID 81033652
N-[[4-methyl-2-(propoxymethyl)cyclohexyl]methyl]propan-2-amine
CID 81032198
2-hexyl-4-methylcyclohexan-1-amine
CID 55221311
2-dodecyl-4-methylcyclohexan-1-amine
CID 63403347
N,4-dimethyl-2-nonylcyclohexan-1-amine
CID 63403610
N-[[4-methyl-2-(4-methylpentyl)cyclohexyl]methyl]propan-1-amine
CID 83163463
1-bromo-2-dodecyl-4-methylcyclohexane
CID 63472034
N-[(2-hexyl-4-propan-2-ylcyclohexyl)methyl]cyclopropanamine
CID 81030673
1-hexyl-2-undecylcyclopropane
CID 58049498

Frequently Asked Questions

What is the IUPAC name of N-[(2-hexyl-4-methylcyclohexyl)methyl]propan-2-amine?
The IUPAC name of N-[(2-hexyl-4-methylcyclohexyl)methyl]propan-2-amine (CID 81031373) is N-[(2-hexyl-4-methylcyclohexyl)methyl]propan-2-amine.
What is the SMILES notation for N-[(2-hexyl-4-methylcyclohexyl)methyl]propan-2-amine?
The canonical SMILES for N-[(2-hexyl-4-methylcyclohexyl)methyl]propan-2-amine is CCCCCCC1CC(C)CCC1CNC(C)C.
What is the InChIKey of N-[(2-hexyl-4-methylcyclohexyl)methyl]propan-2-amine?
The InChIKey is ZKQKAFOVAFFGNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N/c1-5-6-7-8-9-16-12-15(4)10-11-17(16)13-18-14(2)3/h14-18H,5-13H2,1-4H3.
What are the key properties of N-[(2-hexyl-4-methylcyclohexyl)methyl]propan-2-amine?
N-[(2-hexyl-4-methylcyclohexyl)methyl]propan-2-amine has a molecular weight of 253.47 g/mol, XLogP of 5.01, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hexyl-4-methylcyclohexyl)methyl]propan-2-amine is sourced from PubChem (CID 81031373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).