N,4-dimethyl-2-nonylcyclohexan-1-amine

C17H35N — CID 63403610

IUPACN,4-dimethyl-2-nonylcyclohexan-1-amine
SMILESCCCCCCCCCC1CC(C)CCC1NC
InChIInChI=1S/C17H35N/c1-4-5-6-7-8-9-10-11-16-14-15(2)12-13-17(16)18-3/h15-18H,4-14H2,1-3H3
InChIKeyBFAQKGGKTFJYOF-UHFFFAOYSA-N
MW253.47 g/mol
LogP5.15
Rot. Bonds9

About N,4-dimethyl-2-nonylcyclohexan-1-amine

N,4-dimethyl-2-nonylcyclohexan-1-amine (PubChem CID 63403610) has the molecular formula C17H35N and a molecular weight of 253.47 g/mol. Its IUPAC name is N,4-dimethyl-2-nonylcyclohexan-1-amine.

Molecular Properties

Compound NameN,4-dimethyl-2-nonylcyclohexan-1-amine
PubChem CID63403610
Molecular FormulaC17H35N
Molecular Weight253.47 g/mol
Exact Mass253.28
IUPAC NameN,4-dimethyl-2-nonylcyclohexan-1-amine
SMILESCCCCCCCCCC1CC(C)CCC1NC
InChIInChI=1S/C17H35N/c1-4-5-6-7-8-9-10-11-16-14-15(2)12-13-17(16)18-3/h15-18H,4-14H2,1-3H3
InChIKeyBFAQKGGKTFJYOF-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'}

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Related Compounds

2-hexyl-N-methyl-4-propylcyclohexan-1-amine
CID 63403681
4-methyl-2-pentyl-N-propylcyclohexan-1-amine
CID 63403659
2-decyl-N-methyl-4-propan-2-ylcyclohexan-1-amine
CID 63401640
4-tert-butyl-N-methyl-2-pentylcyclohexan-1-amine
CID 63401228
N-methyl-2-octylcyclohexan-1-amine
CID 63400173
N-methyl-1-(4-methyl-2-nonylcyclohexyl)methanamine
CID 81025245
N,4-dimethyl-2-[[methyl(pentyl)amino]methyl]cyclohexan-1-amine
CID 62615388
2-hexyl-4-methylcyclohexan-1-amine
CID 55221311
2-dodecyl-4-methylcyclohexan-1-amine
CID 63403347
1-bromo-2-dodecyl-4-methylcyclohexane
CID 63472034
2-butyl-4-tert-butyl-N-methylcyclohexan-1-amine
CID 63401093
N,5-dimethyl-2-(2-methyldecan-2-yl)cyclohexan-1-amine
CID 64764075

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-2-nonylcyclohexan-1-amine?
The IUPAC name of N,4-dimethyl-2-nonylcyclohexan-1-amine (CID 63403610) is N,4-dimethyl-2-nonylcyclohexan-1-amine.
What is the SMILES notation for N,4-dimethyl-2-nonylcyclohexan-1-amine?
The canonical SMILES for N,4-dimethyl-2-nonylcyclohexan-1-amine is CCCCCCCCCC1CC(C)CCC1NC.
What is the InChIKey of N,4-dimethyl-2-nonylcyclohexan-1-amine?
The InChIKey is BFAQKGGKTFJYOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N/c1-4-5-6-7-8-9-10-11-16-14-15(2)12-13-17(16)18-3/h15-18H,4-14H2,1-3H3.
What are the key properties of N,4-dimethyl-2-nonylcyclohexan-1-amine?
N,4-dimethyl-2-nonylcyclohexan-1-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-dimethyl-2-nonylcyclohexan-1-amine is sourced from PubChem (CID 63403610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).