N-(3-aminopropyl)-N-cyclobutyl-2-(trifluoromethyl)cyclohexane-1-carboxamide

C15H25F3N2O — CID 102873908

IUPACN-(3-aminopropyl)-N-cyclobutyl-2-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESNCCCN(C(=O)C1CCCCC1C(F)(F)F)C1CCC1
InChIInChI=1S/C15H25F3N2O/c16-15(17,18)13-8-2-1-7-12(13)14(21)20(10-4-9-19)11-5-3-6-11/h11-13H,1-10,19H2
InChIKeyDGBCKVWILGBODV-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.09
Rot. Bonds5

About N-(3-aminopropyl)-N-cyclobutyl-2-(trifluoromethyl)cyclohexane-1-carboxamide

N-(3-aminopropyl)-N-cyclobutyl-2-(trifluoromethyl)cyclohexane-1-carboxamide (PubChem CID 102873908) has the molecular formula C15H25F3N2O and a molecular weight of 306.37 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-cyclobutyl-2-(trifluoromethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-cyclobutyl-2-(trifluoromethyl)cyclohexane-1-carboxamide
PubChem CID102873908
Molecular FormulaC15H25F3N2O
Molecular Weight306.37 g/mol
Exact Mass306.19
IUPAC NameN-(3-aminopropyl)-N-cyclobutyl-2-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESNCCCN(C(=O)C1CCCCC1C(F)(F)F)C1CCC1
InChIInChI=1S/C15H25F3N2O/c16-15(17,18)13-8-2-1-7-12(13)14(21)20(10-4-9-19)11-5-3-6-11/h11-13H,1-10,19H2
InChIKeyDGBCKVWILGBODV-UHFFFAOYSA-N
XLogP3.09
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(3-aminopropyl)-N-cyclobutyl-2-(trifluoromethyl)cyclohexane-1-carboxamide 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 N-(3-aminopropyl)-N-cyclobutyl-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The IUPAC name of N-(3-aminopropyl)-N-cyclobutyl-2-(trifluoromethyl)cyclohexane-1-carboxamide (CID 102873908) is N-(3-aminopropyl)-N-cyclobutyl-2-(trifluoromethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-(3-aminopropyl)-N-cyclobutyl-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-(3-aminopropyl)-N-cyclobutyl-2-(trifluoromethyl)cyclohexane-1-carboxamide is NCCCN(C(=O)C1CCCCC1C(F)(F)F)C1CCC1.
What is the InChIKey of N-(3-aminopropyl)-N-cyclobutyl-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The InChIKey is DGBCKVWILGBODV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25F3N2O/c16-15(17,18)13-8-2-1-7-12(13)14(21)20(10-4-9-19)11-5-3-6-11/h11-13H,1-10,19H2.
What are the key properties of N-(3-aminopropyl)-N-cyclobutyl-2-(trifluoromethyl)cyclohexane-1-carboxamide?
N-(3-aminopropyl)-N-cyclobutyl-2-(trifluoromethyl)cyclohexane-1-carboxamide has a molecular weight of 306.37 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-cyclobutyl-2-(trifluoromethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 102873908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).