2-dodecyl-4-methylcyclohexan-1-amine

C19H39N — CID 63403347

IUPAC2-dodecyl-4-methylcyclohexan-1-amine
SMILESCCCCCCCCCCCCC1CC(C)CCC1N
InChIInChI=1S/C19H39N/c1-3-4-5-6-7-8-9-10-11-12-13-18-16-17(2)14-15-19(18)20/h17-19H,3-16,20H2,1-2H3
InChIKeyDMXQEYXNASGXKA-UHFFFAOYSA-N
MW281.53 g/mol
LogP6.06
Rot. Bonds11

About 2-dodecyl-4-methylcyclohexan-1-amine

2-dodecyl-4-methylcyclohexan-1-amine (PubChem CID 63403347) has the molecular formula C19H39N and a molecular weight of 281.53 g/mol. Its IUPAC name is 2-dodecyl-4-methylcyclohexan-1-amine.

Molecular Properties

Compound Name2-dodecyl-4-methylcyclohexan-1-amine
PubChem CID63403347
Molecular FormulaC19H39N
Molecular Weight281.53 g/mol
Exact Mass281.31
IUPAC Name2-dodecyl-4-methylcyclohexan-1-amine
SMILESCCCCCCCCCCCCC1CC(C)CCC1N
InChIInChI=1S/C19H39N/c1-3-4-5-6-7-8-9-10-11-12-13-18-16-17(2)14-15-19(18)20/h17-19H,3-16,20H2,1-2H3
InChIKeyDMXQEYXNASGXKA-UHFFFAOYSA-N
XLogP6.06
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.53
LogP ≤ 56.06
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-4-methylcyclohexan-1-amine
CID 55221311
2-heptyl-4-propylcyclohexan-1-amine
CID 63403454
2,4-dimethylcyclohexan-1-amine;dodecane
CID 174680887
1-bromo-2-dodecyl-4-methylcyclohexane
CID 63472034
3-dodecyl-2-methylcyclopentan-1-amine
CID 64908094
N,4-dimethyl-2-nonylcyclohexan-1-amine
CID 63403610
2-dodecylcyclohexan-1-amine
CID 63400047
trans-(1S,2R)-2-octylcyclopentan-1-amine
CID 97292499
2-heptylcyclohexan-1-amine
CID 23132318
N-methyl-1-(4-methyl-2-nonylcyclohexyl)methanamine
CID 81025245
1-methyl-2-pentadecylcyclopropane
CID 54385825
1-hexyl-2-undecylcyclopropane
CID 58049498

Frequently Asked Questions

What is the IUPAC name of 2-dodecyl-4-methylcyclohexan-1-amine?
The IUPAC name of 2-dodecyl-4-methylcyclohexan-1-amine (CID 63403347) is 2-dodecyl-4-methylcyclohexan-1-amine.
What is the SMILES notation for 2-dodecyl-4-methylcyclohexan-1-amine?
The canonical SMILES for 2-dodecyl-4-methylcyclohexan-1-amine is CCCCCCCCCCCCC1CC(C)CCC1N.
What is the InChIKey of 2-dodecyl-4-methylcyclohexan-1-amine?
The InChIKey is DMXQEYXNASGXKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39N/c1-3-4-5-6-7-8-9-10-11-12-13-18-16-17(2)14-15-19(18)20/h17-19H,3-16,20H2,1-2H3.
What are the key properties of 2-dodecyl-4-methylcyclohexan-1-amine?
2-dodecyl-4-methylcyclohexan-1-amine has a molecular weight of 281.53 g/mol, XLogP of 6.06, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dodecyl-4-methylcyclohexan-1-amine is sourced from PubChem (CID 63403347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).