N-[(2-cyclopentyl-4,4-dimethylcyclohexyl)methyl]cyclopropanamine

C17H31N — CID 81030507

IUPACN-[(2-cyclopentyl-4,4-dimethylcyclohexyl)methyl]cyclopropanamine
SMILESCC1(C)CCC(CNC2CC2)C(C2CCCC2)C1
InChIInChI=1S/C17H31N/c1-17(2)10-9-14(12-18-15-7-8-15)16(11-17)13-5-3-4-6-13/h13-16,18H,3-12H2,1-2H3
InChIKeyQZHQVYJQCIVKRG-UHFFFAOYSA-N
MW249.44 g/mol
LogP4.37
Rot. Bonds4

About N-[(2-cyclopentyl-4,4-dimethylcyclohexyl)methyl]cyclopropanamine

N-[(2-cyclopentyl-4,4-dimethylcyclohexyl)methyl]cyclopropanamine (PubChem CID 81030507) has the molecular formula C17H31N and a molecular weight of 249.44 g/mol. Its IUPAC name is N-[(2-cyclopentyl-4,4-dimethylcyclohexyl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(2-cyclopentyl-4,4-dimethylcyclohexyl)methyl]cyclopropanamine
PubChem CID81030507
Molecular FormulaC17H31N
Molecular Weight249.44 g/mol
Exact Mass249.25
IUPAC NameN-[(2-cyclopentyl-4,4-dimethylcyclohexyl)methyl]cyclopropanamine
SMILESCC1(C)CCC(CNC2CC2)C(C2CCCC2)C1
InChIInChI=1S/C17H31N/c1-17(2)10-9-14(12-18-15-7-8-15)16(11-17)13-5-3-4-6-13/h13-16,18H,3-12H2,1-2H3
InChIKeyQZHQVYJQCIVKRG-UHFFFAOYSA-N
XLogP4.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.44
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-cycloheptyl-4,4-dimethylcyclohexyl)-N-methylmethanamine
CID 82935731
N-[(2-cyclopropyl-4,4-dimethylcyclohexyl)methyl]propan-2-amine
CID 81031172
N-[(2-ethyl-4,4-dimethylcyclohexyl)methyl]cyclopropanamine
CID 81030735
N-[(2-cyclohexylcyclobutyl)methyl]cyclopropanamine
CID 81017544
N-[(2-cycloheptylcycloheptyl)methyl]cyclopropanamine
CID 82935728
N-[(2-butyl-4,4-dimethylcyclohexyl)methyl]cyclopropanamine
CID 81030656
N-[[2-(ethoxymethyl)-4,4-dimethylcyclohexyl]methyl]cyclopropanamine
CID 81030365
N-[(2-heptyl-4,4-dimethylcyclohexyl)methyl]cyclopropanamine
CID 81030361
2-[[(3,3-dimethylcyclopentyl)amino]methyl]cyclohexan-1-ol
CID 80705865
N-(cyclopentylmethyl)-4,4-dimethylcycloheptan-1-amine
CID 65084515
N-[[2-[(2-chlorophenyl)methyl]-4,4-dimethylcyclohexyl]methyl]cyclopropanamine
CID 81023259
N-[[2-[(2-bromophenyl)methyl]-4,4-dimethylcyclohexyl]methyl]cyclopropanamine
CID 81022470

Frequently Asked Questions

What is the IUPAC name of N-[(2-cyclopentyl-4,4-dimethylcyclohexyl)methyl]cyclopropanamine?
The IUPAC name of N-[(2-cyclopentyl-4,4-dimethylcyclohexyl)methyl]cyclopropanamine (CID 81030507) is N-[(2-cyclopentyl-4,4-dimethylcyclohexyl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(2-cyclopentyl-4,4-dimethylcyclohexyl)methyl]cyclopropanamine?
The canonical SMILES for N-[(2-cyclopentyl-4,4-dimethylcyclohexyl)methyl]cyclopropanamine is CC1(C)CCC(CNC2CC2)C(C2CCCC2)C1.
What is the InChIKey of N-[(2-cyclopentyl-4,4-dimethylcyclohexyl)methyl]cyclopropanamine?
The InChIKey is QZHQVYJQCIVKRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N/c1-17(2)10-9-14(12-18-15-7-8-15)16(11-17)13-5-3-4-6-13/h13-16,18H,3-12H2,1-2H3.
What are the key properties of N-[(2-cyclopentyl-4,4-dimethylcyclohexyl)methyl]cyclopropanamine?
N-[(2-cyclopentyl-4,4-dimethylcyclohexyl)methyl]cyclopropanamine has a molecular weight of 249.44 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclopentyl-4,4-dimethylcyclohexyl)methyl]cyclopropanamine is sourced from PubChem (CID 81030507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).