N-[[2-(3-methylcyclohexyl)cyclopentyl]methyl]cyclopropanamine

C16H29N — CID 81033733

IUPACN-[[2-(3-methylcyclohexyl)cyclopentyl]methyl]cyclopropanamine
SMILESCC1CCCC(C2CCCC2CNC2CC2)C1
InChIInChI=1S/C16H29N/c1-12-4-2-5-13(10-12)16-7-3-6-14(16)11-17-15-8-9-15/h12-17H,2-11H2,1H3
InChIKeyFWAPWSFMSFDIDO-UHFFFAOYSA-N
MW235.41 g/mol
LogP3.98
Rot. Bonds4

About N-[[2-(3-methylcyclohexyl)cyclopentyl]methyl]cyclopropanamine

N-[[2-(3-methylcyclohexyl)cyclopentyl]methyl]cyclopropanamine (PubChem CID 81033733) has the molecular formula C16H29N and a molecular weight of 235.41 g/mol. Its IUPAC name is N-[[2-(3-methylcyclohexyl)cyclopentyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(3-methylcyclohexyl)cyclopentyl]methyl]cyclopropanamine
PubChem CID81033733
Molecular FormulaC16H29N
Molecular Weight235.41 g/mol
Exact Mass235.23
IUPAC NameN-[[2-(3-methylcyclohexyl)cyclopentyl]methyl]cyclopropanamine
SMILESCC1CCCC(C2CCCC2CNC2CC2)C1
InChIInChI=1S/C16H29N/c1-12-4-2-5-13(10-12)16-7-3-6-14(16)11-17-15-8-9-15/h12-17H,2-11H2,1H3
InChIKeyFWAPWSFMSFDIDO-UHFFFAOYSA-N
XLogP3.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.41
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[2-(3,5-dimethylcyclohexyl)cycloheptyl]methyl]cyclopropanamine
CID 81025418
N-[[4-ethyl-2-(3-methylcyclohexyl)cyclohexyl]methyl]cyclopropanamine
CID 81029060
N-[[2-(3-ethylcyclohexyl)cyclopentyl]methyl]cyclopropanamine
CID 81034069
2-methyl-N-[[2-(3-methylcyclohexyl)cyclopentyl]methyl]propan-2-amine
CID 81026999
N-[(2-cycloheptylcycloheptyl)methyl]cyclopropanamine
CID 82935728
N-[[2-(3,5-dimethylcyclohexyl)-4-methylcyclohexyl]methyl]cyclopropanamine
CID 81032057
N-[(2-cyclohexylcyclobutyl)methyl]cyclopropanamine
CID 81017544
N-[(2-aminocyclohexyl)methyl]-4-methylcycloheptan-1-amine
CID 114100509
2-[[(3-methylcyclohexyl)amino]methyl]cyclohexan-1-ol
CID 64929988
1-[4-ethyl-2-(3-methylcyclohexyl)cyclohexyl]-N-methylmethanamine
CID 81031697
3-cyclopropyl-N-[(2-methylcyclopentyl)methyl]cyclohexan-1-amine
CID 107417299
1-(2-cyclohexylcyclopentyl)-N-methylmethanamine
CID 81033950

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-methylcyclohexyl)cyclopentyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(3-methylcyclohexyl)cyclopentyl]methyl]cyclopropanamine (CID 81033733) is N-[[2-(3-methylcyclohexyl)cyclopentyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(3-methylcyclohexyl)cyclopentyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(3-methylcyclohexyl)cyclopentyl]methyl]cyclopropanamine is CC1CCCC(C2CCCC2CNC2CC2)C1.
What is the InChIKey of N-[[2-(3-methylcyclohexyl)cyclopentyl]methyl]cyclopropanamine?
The InChIKey is FWAPWSFMSFDIDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N/c1-12-4-2-5-13(10-12)16-7-3-6-14(16)11-17-15-8-9-15/h12-17H,2-11H2,1H3.
What are the key properties of N-[[2-(3-methylcyclohexyl)cyclopentyl]methyl]cyclopropanamine?
N-[[2-(3-methylcyclohexyl)cyclopentyl]methyl]cyclopropanamine has a molecular weight of 235.41 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-methylcyclohexyl)cyclopentyl]methyl]cyclopropanamine is sourced from PubChem (CID 81033733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).