4-(4-pentylcyclohexyl)cyclohexan-1-amine

C17H33N — CID 86168777

IUPAC4-(4-pentylcyclohexyl)cyclohexan-1-amine
SMILESCCCCCC1CCC(C2CCC(N)CC2)CC1
InChIInChI=1S/C17H33N/c1-2-3-4-5-14-6-8-15(9-7-14)16-10-12-17(18)13-11-16/h14-17H,2-13,18H2,1H3
InChIKeySHUWBMGZBVQUMF-UHFFFAOYSA-N
MW251.46 g/mol
LogP4.89
Rot. Bonds5

About 4-(4-pentylcyclohexyl)cyclohexan-1-amine

4-(4-pentylcyclohexyl)cyclohexan-1-amine (PubChem CID 86168777) has the molecular formula C17H33N and a molecular weight of 251.46 g/mol. Its IUPAC name is 4-(4-pentylcyclohexyl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-(4-pentylcyclohexyl)cyclohexan-1-amine
PubChem CID86168777
Molecular FormulaC17H33N
Molecular Weight251.46 g/mol
Exact Mass251.26
IUPAC Name4-(4-pentylcyclohexyl)cyclohexan-1-amine
SMILESCCCCCC1CCC(C2CCC(N)CC2)CC1
InChIInChI=1S/C17H33N/c1-2-3-4-5-14-6-8-15(9-7-14)16-10-12-17(18)13-11-16/h14-17H,2-13,18H2,1H3
InChIKeySHUWBMGZBVQUMF-UHFFFAOYSA-N
XLogP4.89
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.46
LogP ≤ 54.89
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-nonyl-4-(4-nonylcyclohexyl)cyclohexane
CID 19850464
1-(4-octylcyclohexyl)-4-(4-pentylcyclohexyl)cyclohexane
CID 54222388
1-octyl-4-(4-octylcyclohexyl)cyclohexane
CID 19850385
1-butyl-4-[4-(4-decylcyclohexyl)cyclohexyl]cyclohexane
CID 54137563
1-hexyl-4-(4-propylcyclohexyl)cyclohexane
CID 19850461
hexane;pentylcyclopropane
CID 159592467
1-methyl-4-[4-(4-nonylcyclohexyl)cyclohexyl]cyclohexane
CID 54248901
1-hexyl-4-(4-methylcyclohexyl)cyclohexane
CID 19850428
tetradecane;undecylcyclopropane
CID 173215670
1,4-dihexylcyclohexane
CID 22947938
octadecane;pentadecylcyclopropane
CID 173301851
1-dodecyl-4-pentadecylcyclohexane
CID 123560684

Frequently Asked Questions

What is the IUPAC name of 4-(4-pentylcyclohexyl)cyclohexan-1-amine?
The IUPAC name of 4-(4-pentylcyclohexyl)cyclohexan-1-amine (CID 86168777) is 4-(4-pentylcyclohexyl)cyclohexan-1-amine.
What is the SMILES notation for 4-(4-pentylcyclohexyl)cyclohexan-1-amine?
The canonical SMILES for 4-(4-pentylcyclohexyl)cyclohexan-1-amine is CCCCCC1CCC(C2CCC(N)CC2)CC1.
What is the InChIKey of 4-(4-pentylcyclohexyl)cyclohexan-1-amine?
The InChIKey is SHUWBMGZBVQUMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N/c1-2-3-4-5-14-6-8-15(9-7-14)16-10-12-17(18)13-11-16/h14-17H,2-13,18H2,1H3.
What are the key properties of 4-(4-pentylcyclohexyl)cyclohexan-1-amine?
4-(4-pentylcyclohexyl)cyclohexan-1-amine has a molecular weight of 251.46 g/mol, XLogP of 4.89, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-pentylcyclohexyl)cyclohexan-1-amine is sourced from PubChem (CID 86168777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).