N-(3-methylcyclopentyl)-4-propan-2-ylcyclohexan-1-amine

C15H29N — CID 114543996

IUPACN-(3-methylcyclopentyl)-4-propan-2-ylcyclohexan-1-amine
SMILESCC1CCC(NC2CCC(C(C)C)CC2)C1
InChIInChI=1S/C15H29N/c1-11(2)13-5-8-14(9-6-13)16-15-7-4-12(3)10-15/h11-16H,4-10H2,1-3H3
InChIKeyNINBSVYNIDGPTK-UHFFFAOYSA-N
MW223.40 g/mol
LogP3.98
Rot. Bonds3

About N-(3-methylcyclopentyl)-4-propan-2-ylcyclohexan-1-amine

N-(3-methylcyclopentyl)-4-propan-2-ylcyclohexan-1-amine (PubChem CID 114543996) has the molecular formula C15H29N and a molecular weight of 223.40 g/mol. Its IUPAC name is N-(3-methylcyclopentyl)-4-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound NameN-(3-methylcyclopentyl)-4-propan-2-ylcyclohexan-1-amine
PubChem CID114543996
Molecular FormulaC15H29N
Molecular Weight223.40 g/mol
Exact Mass223.23
IUPAC NameN-(3-methylcyclopentyl)-4-propan-2-ylcyclohexan-1-amine
SMILESCC1CCC(NC2CCC(C(C)C)CC2)C1
InChIInChI=1S/C15H29N/c1-11(2)13-5-8-14(9-6-13)16-15-7-4-12(3)10-15/h11-16H,4-10H2,1-3H3
InChIKeyNINBSVYNIDGPTK-UHFFFAOYSA-N
XLogP3.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.40
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-cyclopentyl-3-propan-2-ylcyclopentan-1-amine
CID 130628636
N-[(1R,3R)-3-methylcyclopentyl]cyclohexanamine
CID 95376125
N-cyclopentyl-4-propan-2-ylcyclohexan-1-amine
CID 58841003
N-(3,4-dimethylcyclohexyl)-4-propan-2-ylcycloheptan-1-amine
CID 65091389
3,5-dimethyl-N-(3-propan-2-ylcyclobutyl)cyclohexan-1-amine
CID 103561989
4-tert-butyl-N-(3-methylcyclopentyl)cyclohexan-1-amine
CID 114544060
cis-(1S,3R)-1-methyl-3-propan-2-ylcyclopentane;ethane;hydrofluoride
CID 169140803
methane;1-methyl-4-propan-2-ylcyclohexane
CID 178082994
(1R)-3-methyl-N-propan-2-ylcyclopentan-1-amine
CID 58394376
trans-(1S,3S)-3-methyl-N-propan-2-ylcyclopentan-1-amine
CID 58394445
N-(3-methylcyclopentyl)spiro[4.5]decan-8-amine
CID 114817955
trans-(1R,3R)-3-methyl-N-[(1S,3S)-3-methylcyclohexyl]cyclohexan-1-amine
CID 99646097

Frequently Asked Questions

What is the IUPAC name of N-(3-methylcyclopentyl)-4-propan-2-ylcyclohexan-1-amine?
The IUPAC name of N-(3-methylcyclopentyl)-4-propan-2-ylcyclohexan-1-amine (CID 114543996) is N-(3-methylcyclopentyl)-4-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for N-(3-methylcyclopentyl)-4-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for N-(3-methylcyclopentyl)-4-propan-2-ylcyclohexan-1-amine is CC1CCC(NC2CCC(C(C)C)CC2)C1.
What is the InChIKey of N-(3-methylcyclopentyl)-4-propan-2-ylcyclohexan-1-amine?
The InChIKey is NINBSVYNIDGPTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N/c1-11(2)13-5-8-14(9-6-13)16-15-7-4-12(3)10-15/h11-16H,4-10H2,1-3H3.
What are the key properties of N-(3-methylcyclopentyl)-4-propan-2-ylcyclohexan-1-amine?
N-(3-methylcyclopentyl)-4-propan-2-ylcyclohexan-1-amine has a molecular weight of 223.40 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylcyclopentyl)-4-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 114543996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).