1-(2-hexyl-4-propylcyclohexyl)-N-methylmethanamine

C17H35N — CID 81029078

IUPAC1-(2-hexyl-4-propylcyclohexyl)-N-methylmethanamine
SMILESCCCCCCC1CC(CCC)CCC1CNC
InChIInChI=1S/C17H35N/c1-4-6-7-8-10-16-13-15(9-5-2)11-12-17(16)14-18-3/h15-18H,4-14H2,1-3H3
InChIKeyXUCXGQMHTUFVPT-UHFFFAOYSA-N
MW253.47 g/mol
LogP5.01
Rot. Bonds9

About 1-(2-hexyl-4-propylcyclohexyl)-N-methylmethanamine

1-(2-hexyl-4-propylcyclohexyl)-N-methylmethanamine (PubChem CID 81029078) has the molecular formula C17H35N and a molecular weight of 253.47 g/mol. Its IUPAC name is 1-(2-hexyl-4-propylcyclohexyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2-hexyl-4-propylcyclohexyl)-N-methylmethanamine
PubChem CID81029078
Molecular FormulaC17H35N
Molecular Weight253.47 g/mol
Exact Mass253.28
IUPAC Name1-(2-hexyl-4-propylcyclohexyl)-N-methylmethanamine
SMILESCCCCCCC1CC(CCC)CCC1CNC
InChIInChI=1S/C17H35N/c1-4-6-7-8-10-16-13-15(9-5-2)11-12-17(16)14-18-3/h15-18H,4-14H2,1-3H3
InChIKeyXUCXGQMHTUFVPT-UHFFFAOYSA-N
XLogP5.01
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 ≤ 55.01
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-methyl-1-(4-methyl-2-nonylcyclohexyl)methanamine
CID 81025245
2-hexyl-N-methyl-4-propylcyclohexan-1-amine
CID 63403681
1-(2-hexylcycloheptyl)-N-methylmethanamine
CID 81025973
2-heptyl-4-propylcyclohexan-1-amine
CID 63403454
N-methyl-1-[2-(2-methylprop-2-enyl)-4-propylcyclohexyl]methanamine
CID 81029231
N-methyl-1-[2-(2-methylidenebutyl)-4-propylcyclohexyl]methanamine
CID 81029595
1-(4-butyl-3-methylcyclohexyl)-N-methylmethanamine
CID 89010871
1-[2-[(3,5-dimethylphenyl)methyl]-4-propylcyclohexyl]-N-methylmethanamine
CID 81033230
2-methyl-N-[[2-(4-methylpentyl)-4-propylcyclohexyl]methyl]propan-2-amine
CID 83148411
1-propyl-2-undecylcyclopropane
CID 123636027
(4-ethyl-2-octylcyclohexyl)methanamine
CID 81012449
1-hexyl-2-undecylcyclopropane
CID 58049498

Frequently Asked Questions

What is the IUPAC name of 1-(2-hexyl-4-propylcyclohexyl)-N-methylmethanamine?
The IUPAC name of 1-(2-hexyl-4-propylcyclohexyl)-N-methylmethanamine (CID 81029078) is 1-(2-hexyl-4-propylcyclohexyl)-N-methylmethanamine.
What is the SMILES notation for 1-(2-hexyl-4-propylcyclohexyl)-N-methylmethanamine?
The canonical SMILES for 1-(2-hexyl-4-propylcyclohexyl)-N-methylmethanamine is CCCCCCC1CC(CCC)CCC1CNC.
What is the InChIKey of 1-(2-hexyl-4-propylcyclohexyl)-N-methylmethanamine?
The InChIKey is XUCXGQMHTUFVPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N/c1-4-6-7-8-10-16-13-15(9-5-2)11-12-17(16)14-18-3/h15-18H,4-14H2,1-3H3.
What are the key properties of 1-(2-hexyl-4-propylcyclohexyl)-N-methylmethanamine?
1-(2-hexyl-4-propylcyclohexyl)-N-methylmethanamine has a molecular weight of 253.47 g/mol, XLogP of 5.01, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hexyl-4-propylcyclohexyl)-N-methylmethanamine is sourced from PubChem (CID 81029078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).