N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4-ethylcyclohexan-1-amine

C13H21F2N3 — CID 54955384

IUPACN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4-ethylcyclohexan-1-amine
SMILESCCC1CCC(NCc2nccn2C(F)F)CC1
InChIInChI=1S/C13H21F2N3/c1-2-10-3-5-11(6-4-10)17-9-12-16-7-8-18(12)13(14)15/h7-8,10-11,13,17H,2-6,9H2,1H3
InChIKeyMVKABUPCGFMOSL-UHFFFAOYSA-N
MW257.33 g/mol
LogP3.34
Rot. Bonds5

About N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4-ethylcyclohexan-1-amine

N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4-ethylcyclohexan-1-amine (PubChem CID 54955384) has the molecular formula C13H21F2N3 and a molecular weight of 257.33 g/mol. Its IUPAC name is N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4-ethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4-ethylcyclohexan-1-amine
PubChem CID54955384
Molecular FormulaC13H21F2N3
Molecular Weight257.33 g/mol
Exact Mass257.17
IUPAC NameN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4-ethylcyclohexan-1-amine
SMILESCCC1CCC(NCc2nccn2C(F)F)CC1
InChIInChI=1S/C13H21F2N3/c1-2-10-3-5-11(6-4-10)17-9-12-16-7-8-18(12)13(14)15/h7-8,10-11,13,17H,2-6,9H2,1H3
InChIKeyMVKABUPCGFMOSL-UHFFFAOYSA-N
XLogP3.34
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4-ethylcyclohexan-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 N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4-ethylcyclohexan-1-amine?
The IUPAC name of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4-ethylcyclohexan-1-amine (CID 54955384) is N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4-ethylcyclohexan-1-amine.
What is the SMILES notation for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4-ethylcyclohexan-1-amine?
The canonical SMILES for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4-ethylcyclohexan-1-amine is CCC1CCC(NCc2nccn2C(F)F)CC1.
What is the InChIKey of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4-ethylcyclohexan-1-amine?
The InChIKey is MVKABUPCGFMOSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F2N3/c1-2-10-3-5-11(6-4-10)17-9-12-16-7-8-18(12)13(14)15/h7-8,10-11,13,17H,2-6,9H2,1H3.
What are the key properties of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4-ethylcyclohexan-1-amine?
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4-ethylcyclohexan-1-amine has a molecular weight of 257.33 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4-ethylcyclohexan-1-amine is sourced from PubChem (CID 54955384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).