1-(aminomethyl)-N-cyclopentyl-N-ethyl-4-(trifluoromethyl)cyclohexan-1-amine

C15H27F3N2 — CID 64754085

IUPAC1-(aminomethyl)-N-cyclopentyl-N-ethyl-4-(trifluoromethyl)cyclohexan-1-amine
SMILESCCN(C1CCCC1)C1(CN)CCC(C(F)(F)F)CC1
InChIInChI=1S/C15H27F3N2/c1-2-20(13-5-3-4-6-13)14(11-19)9-7-12(8-10-14)15(16,17)18/h12-13H,2-11,19H2,1H3
InChIKeyDISGDIPJIZMNIH-UHFFFAOYSA-N
MW292.39 g/mol
LogP3.70
Rot. Bonds4

About 1-(aminomethyl)-N-cyclopentyl-N-ethyl-4-(trifluoromethyl)cyclohexan-1-amine

1-(aminomethyl)-N-cyclopentyl-N-ethyl-4-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 64754085) has the molecular formula C15H27F3N2 and a molecular weight of 292.39 g/mol. Its IUPAC name is 1-(aminomethyl)-N-cyclopentyl-N-ethyl-4-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-cyclopentyl-N-ethyl-4-(trifluoromethyl)cyclohexan-1-amine
PubChem CID64754085
Molecular FormulaC15H27F3N2
Molecular Weight292.39 g/mol
Exact Mass292.21
IUPAC Name1-(aminomethyl)-N-cyclopentyl-N-ethyl-4-(trifluoromethyl)cyclohexan-1-amine
SMILESCCN(C1CCCC1)C1(CN)CCC(C(F)(F)F)CC1
InChIInChI=1S/C15H27F3N2/c1-2-20(13-5-3-4-6-13)14(11-19)9-7-12(8-10-14)15(16,17)18/h12-13H,2-11,19H2,1H3
InChIKeyDISGDIPJIZMNIH-UHFFFAOYSA-N
XLogP3.70
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(aminomethyl)-N-cyclopentyl-N-ethyl-4-(trifluoromethyl)cyclohexan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-cyclopentyl-N-ethyl-4-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-cyclopentyl-N-ethyl-4-(trifluoromethyl)cyclohexan-1-amine (CID 64754085) is 1-(aminomethyl)-N-cyclopentyl-N-ethyl-4-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-cyclopentyl-N-ethyl-4-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-cyclopentyl-N-ethyl-4-(trifluoromethyl)cyclohexan-1-amine is CCN(C1CCCC1)C1(CN)CCC(C(F)(F)F)CC1.
What is the InChIKey of 1-(aminomethyl)-N-cyclopentyl-N-ethyl-4-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is DISGDIPJIZMNIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27F3N2/c1-2-20(13-5-3-4-6-13)14(11-19)9-7-12(8-10-14)15(16,17)18/h12-13H,2-11,19H2,1H3.
What are the key properties of 1-(aminomethyl)-N-cyclopentyl-N-ethyl-4-(trifluoromethyl)cyclohexan-1-amine?
1-(aminomethyl)-N-cyclopentyl-N-ethyl-4-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 292.39 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-cyclopentyl-N-ethyl-4-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 64754085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).