N-[(4-methyl-2-nonylcyclohexyl)methyl]propan-2-amine

C20H41N — CID 81034416

IUPACN-[(4-methyl-2-nonylcyclohexyl)methyl]propan-2-amine
SMILESCCCCCCCCCC1CC(C)CCC1CNC(C)C
InChIInChI=1S/C20H41N/c1-5-6-7-8-9-10-11-12-19-15-18(4)13-14-20(19)16-21-17(2)3/h17-21H,5-16H2,1-4H3
InChIKeyYOTFDEICYOKBTQ-UHFFFAOYSA-N
MW295.56 g/mol
LogP6.18
Rot. Bonds11

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

N-[(4-methyl-2-nonylcyclohexyl)methyl]propan-2-amine (PubChem CID 81034416) has the molecular formula C20H41N and a molecular weight of 295.56 g/mol. Its IUPAC name is N-[(4-methyl-2-nonylcyclohexyl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(4-methyl-2-nonylcyclohexyl)methyl]propan-2-amine
PubChem CID81034416
Molecular FormulaC20H41N
Molecular Weight295.56 g/mol
Exact Mass295.32
IUPAC NameN-[(4-methyl-2-nonylcyclohexyl)methyl]propan-2-amine
SMILESCCCCCCCCCC1CC(C)CCC1CNC(C)C
InChIInChI=1S/C20H41N/c1-5-6-7-8-9-10-11-12-19-15-18(4)13-14-20(19)16-21-17(2)3/h17-21H,5-16H2,1-4H3
InChIKeyYOTFDEICYOKBTQ-UHFFFAOYSA-N
XLogP6.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.56
LogP ≤ 56.18
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-[(2-hexyl-4-methylcyclohexyl)methyl]propan-2-amine
CID 81031373
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-[(4-methyl-2-nonylcyclohexyl)methyl]propan-2-amine?
The IUPAC name of N-[(4-methyl-2-nonylcyclohexyl)methyl]propan-2-amine (CID 81034416) is N-[(4-methyl-2-nonylcyclohexyl)methyl]propan-2-amine.
What is the SMILES notation for N-[(4-methyl-2-nonylcyclohexyl)methyl]propan-2-amine?
The canonical SMILES for N-[(4-methyl-2-nonylcyclohexyl)methyl]propan-2-amine is CCCCCCCCCC1CC(C)CCC1CNC(C)C.
What is the InChIKey of N-[(4-methyl-2-nonylcyclohexyl)methyl]propan-2-amine?
The InChIKey is YOTFDEICYOKBTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H41N/c1-5-6-7-8-9-10-11-12-19-15-18(4)13-14-20(19)16-21-17(2)3/h17-21H,5-16H2,1-4H3.
What are the key properties of N-[(4-methyl-2-nonylcyclohexyl)methyl]propan-2-amine?
N-[(4-methyl-2-nonylcyclohexyl)methyl]propan-2-amine has a molecular weight of 295.56 g/mol, XLogP of 6.18, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-2-nonylcyclohexyl)methyl]propan-2-amine is sourced from PubChem (CID 81034416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).