1-(cyclopentylmethyl)-5-methyl-2-propan-2-ylcyclohexan-1-amine

C16H31N — CID 55185816

IUPAC1-(cyclopentylmethyl)-5-methyl-2-propan-2-ylcyclohexan-1-amine
SMILESCC1CCC(C(C)C)C(N)(CC2CCCC2)C1
InChIInChI=1S/C16H31N/c1-12(2)15-9-8-13(3)10-16(15,17)11-14-6-4-5-7-14/h12-15H,4-11,17H2,1-3H3
InChIKeyJGBBHSYPDNXHRG-UHFFFAOYSA-N
MW237.43 g/mol
LogP4.36
Rot. Bonds3

About 1-(cyclopentylmethyl)-5-methyl-2-propan-2-ylcyclohexan-1-amine

1-(cyclopentylmethyl)-5-methyl-2-propan-2-ylcyclohexan-1-amine (PubChem CID 55185816) has the molecular formula C16H31N and a molecular weight of 237.43 g/mol. Its IUPAC name is 1-(cyclopentylmethyl)-5-methyl-2-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(cyclopentylmethyl)-5-methyl-2-propan-2-ylcyclohexan-1-amine
PubChem CID55185816
Molecular FormulaC16H31N
Molecular Weight237.43 g/mol
Exact Mass237.25
IUPAC Name1-(cyclopentylmethyl)-5-methyl-2-propan-2-ylcyclohexan-1-amine
SMILESCC1CCC(C(C)C)C(N)(CC2CCCC2)C1
InChIInChI=1S/C16H31N/c1-12(2)15-9-8-13(3)10-16(15,17)11-14-6-4-5-7-14/h12-15H,4-11,17H2,1-3H3
InChIKeyJGBBHSYPDNXHRG-UHFFFAOYSA-N
XLogP4.36
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.43
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-bicyclo[2.2.1]heptanylmethyl)-5-methyl-2-propan-2-ylcyclohexan-1-amine
CID 79559180
5-methyl-1-(4-methylpentyl)-2-propan-2-ylcyclohexan-1-amine
CID 83157967
(1R)-1-hydroxy-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 175491800
2,5-dimethyl-1-(2-methylpropyl)cyclohexan-1-amine
CID 64760776
1-[(2-chloro-5-fluorophenyl)methyl]-5-methyl-2-propan-2-ylcyclohexan-1-amine
CID 102617496
(4S,7R)-7-methyl-4-propan-2-yl-1,2-diazaspiro[2.5]oct-1-ene
CID 45096322
ethane;1-fluoro-1,5-dimethyl-2-propan-2-ylcyclohexane
CID 171106643
7-methyl-4-propan-2-yl-1,2-dioxaspiro[2.5]octane
CID 15728160
1-(hydroxymethyl)-5-methyl-2-propan-2-ylcyclohexan-1-ol
CID 19844421
5-methyl-2-propan-2-yl-1-(4-propan-2-ylphenyl)cyclohexan-1-amine
CID 63407409
1-(cyclobutylmethyl)-2-ethylcyclopropan-1-amine
CID 84649864
1-(cycloheptylmethyl)cyclopropan-1-amine
CID 83682636

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopentylmethyl)-5-methyl-2-propan-2-ylcyclohexan-1-amine?
The IUPAC name of 1-(cyclopentylmethyl)-5-methyl-2-propan-2-ylcyclohexan-1-amine (CID 55185816) is 1-(cyclopentylmethyl)-5-methyl-2-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for 1-(cyclopentylmethyl)-5-methyl-2-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for 1-(cyclopentylmethyl)-5-methyl-2-propan-2-ylcyclohexan-1-amine is CC1CCC(C(C)C)C(N)(CC2CCCC2)C1.
What is the InChIKey of 1-(cyclopentylmethyl)-5-methyl-2-propan-2-ylcyclohexan-1-amine?
The InChIKey is JGBBHSYPDNXHRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N/c1-12(2)15-9-8-13(3)10-16(15,17)11-14-6-4-5-7-14/h12-15H,4-11,17H2,1-3H3.
What are the key properties of 1-(cyclopentylmethyl)-5-methyl-2-propan-2-ylcyclohexan-1-amine?
1-(cyclopentylmethyl)-5-methyl-2-propan-2-ylcyclohexan-1-amine has a molecular weight of 237.43 g/mol, XLogP of 4.36, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopentylmethyl)-5-methyl-2-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 55185816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).