2-hexyl-4,4-dimethylcyclohexan-1-amine

C14H29N — CID 81013830

IUPAC2-hexyl-4,4-dimethylcyclohexan-1-amine
SMILESCCCCCCC1CC(C)(C)CCC1N
InChIInChI=1S/C14H29N/c1-4-5-6-7-8-12-11-14(2,3)10-9-13(12)15/h12-13H,4-11,15H2,1-3H3
InChIKeyCDORRLFKWDZNOO-UHFFFAOYSA-N
MW211.39 g/mol
LogP4.11
Rot. Bonds5

About 2-hexyl-4,4-dimethylcyclohexan-1-amine

2-hexyl-4,4-dimethylcyclohexan-1-amine (PubChem CID 81013830) has the molecular formula C14H29N and a molecular weight of 211.39 g/mol. Its IUPAC name is 2-hexyl-4,4-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name2-hexyl-4,4-dimethylcyclohexan-1-amine
PubChem CID81013830
Molecular FormulaC14H29N
Molecular Weight211.39 g/mol
Exact Mass211.23
IUPAC Name2-hexyl-4,4-dimethylcyclohexan-1-amine
SMILESCCCCCCC1CC(C)(C)CCC1N
InChIInChI=1S/C14H29N/c1-4-5-6-7-8-12-11-14(2,3)10-9-13(12)15/h12-13H,4-11,15H2,1-3H3
InChIKeyCDORRLFKWDZNOO-UHFFFAOYSA-N
XLogP4.11
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.39
LogP ≤ 54.11
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-4,4-dimethylcyclohexane-1-carboxylic acid
CID 81021000
N-[(2-heptyl-4,4-dimethylcyclohexyl)methyl]cyclopropanamine
CID 81030361
4,4-dimethyl-2-pentylcyclohexane-1-carboxylic acid
CID 81021082
2-heptylcyclohexan-1-amine
CID 23132318
trans-(1S,2R)-2-octylcyclopentan-1-amine
CID 97292499
2-dodecylcyclohexan-1-amine
CID 63400047
1-methyl-3-pentylbicyclo[2.2.2]octane
CID 91181961
4,4-dimethyl-2-(propoxymethyl)cyclohexan-1-amine
CID 81014415
N-[(2-butyl-4,4-dimethylcyclohexyl)methyl]cyclopropanamine
CID 81030656
2-pentylcyclohexan-1-amine
CID 23132313
2-hexyl-4-methylcyclohexan-1-amine
CID 55221311
2-dodecyl-4-methylcyclohexan-1-amine
CID 63403347

Frequently Asked Questions

What is the IUPAC name of 2-hexyl-4,4-dimethylcyclohexan-1-amine?
The IUPAC name of 2-hexyl-4,4-dimethylcyclohexan-1-amine (CID 81013830) is 2-hexyl-4,4-dimethylcyclohexan-1-amine.
What is the SMILES notation for 2-hexyl-4,4-dimethylcyclohexan-1-amine?
The canonical SMILES for 2-hexyl-4,4-dimethylcyclohexan-1-amine is CCCCCCC1CC(C)(C)CCC1N.
What is the InChIKey of 2-hexyl-4,4-dimethylcyclohexan-1-amine?
The InChIKey is CDORRLFKWDZNOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N/c1-4-5-6-7-8-12-11-14(2,3)10-9-13(12)15/h12-13H,4-11,15H2,1-3H3.
What are the key properties of 2-hexyl-4,4-dimethylcyclohexan-1-amine?
2-hexyl-4,4-dimethylcyclohexan-1-amine has a molecular weight of 211.39 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexyl-4,4-dimethylcyclohexan-1-amine is sourced from PubChem (CID 81013830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).