N-methyl-1-(4-methyl-2-nonylcyclohexyl)methanamine

C18H37N — CID 81025245

IUPACN-methyl-1-(4-methyl-2-nonylcyclohexyl)methanamine
SMILESCCCCCCCCCC1CC(C)CCC1CNC
InChIInChI=1S/C18H37N/c1-4-5-6-7-8-9-10-11-17-14-16(2)12-13-18(17)15-19-3/h16-19H,4-15H2,1-3H3
InChIKeyYQKJWXDDDIRVJZ-UHFFFAOYSA-N
MW267.50 g/mol
LogP5.40
Rot. Bonds10

About N-methyl-1-(4-methyl-2-nonylcyclohexyl)methanamine

N-methyl-1-(4-methyl-2-nonylcyclohexyl)methanamine (PubChem CID 81025245) has the molecular formula C18H37N and a molecular weight of 267.50 g/mol. Its IUPAC name is N-methyl-1-(4-methyl-2-nonylcyclohexyl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(4-methyl-2-nonylcyclohexyl)methanamine
PubChem CID81025245
Molecular FormulaC18H37N
Molecular Weight267.50 g/mol
Exact Mass267.29
IUPAC NameN-methyl-1-(4-methyl-2-nonylcyclohexyl)methanamine
SMILESCCCCCCCCCC1CC(C)CCC1CNC
InChIInChI=1S/C18H37N/c1-4-5-6-7-8-9-10-11-17-14-16(2)12-13-18(17)15-19-3/h16-19H,4-15H2,1-3H3
InChIKeyYQKJWXDDDIRVJZ-UHFFFAOYSA-N
XLogP5.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500267.50
LogP ≤ 55.40
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

1-(2-hexyl-4-propylcyclohexyl)-N-methylmethanamine
CID 81029078
N-[(4-methyl-2-nonylcyclohexyl)methyl]propan-2-amine
CID 81034416
N-[(2-hexyl-4-methylcyclohexyl)methyl]propan-2-amine
CID 81031373
2-methyl-N-[(4-methyl-2-octylcyclohexyl)methyl]propan-2-amine
CID 81033652
1-(2-hexylcycloheptyl)-N-methylmethanamine
CID 81025973
N,4-dimethyl-2-nonylcyclohexan-1-amine
CID 63403610
2-hexyl-4-methylcyclohexan-1-amine
CID 55221311
2-dodecyl-4-methylcyclohexan-1-amine
CID 63403347
N-methyl-1-[4-methyl-2-(2-methylsulfonylethyl)cyclohexyl]methanamine
CID 81032241
1-bromo-2-dodecyl-4-methylcyclohexane
CID 63472034
1-(4-butyl-3-methylcyclohexyl)-N-methylmethanamine
CID 89010871
1,2-dioctylcyclopropane
CID 21337627

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4-methyl-2-nonylcyclohexyl)methanamine?
The IUPAC name of N-methyl-1-(4-methyl-2-nonylcyclohexyl)methanamine (CID 81025245) is N-methyl-1-(4-methyl-2-nonylcyclohexyl)methanamine.
What is the SMILES notation for N-methyl-1-(4-methyl-2-nonylcyclohexyl)methanamine?
The canonical SMILES for N-methyl-1-(4-methyl-2-nonylcyclohexyl)methanamine is CCCCCCCCCC1CC(C)CCC1CNC.
What is the InChIKey of N-methyl-1-(4-methyl-2-nonylcyclohexyl)methanamine?
The InChIKey is YQKJWXDDDIRVJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N/c1-4-5-6-7-8-9-10-11-17-14-16(2)12-13-18(17)15-19-3/h16-19H,4-15H2,1-3H3.
What are the key properties of N-methyl-1-(4-methyl-2-nonylcyclohexyl)methanamine?
N-methyl-1-(4-methyl-2-nonylcyclohexyl)methanamine has a molecular weight of 267.50 g/mol, XLogP of 5.40, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4-methyl-2-nonylcyclohexyl)methanamine is sourced from PubChem (CID 81025245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).