N-[(3-methylimidazol-4-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine

C12H18F3N3 — CID 63001785

IUPACN-[(3-methylimidazol-4-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine
SMILESCn1cncc1CNC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C12H18F3N3/c1-18-8-16-6-11(18)7-17-10-4-2-9(3-5-10)12(13,14)15/h6,8-10,17H,2-5,7H2,1H3
InChIKeySHWYGYTUZPPMAZ-UHFFFAOYSA-N
MW261.29 g/mol
LogP2.63
Rot. Bonds3

About N-[(3-methylimidazol-4-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine

N-[(3-methylimidazol-4-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 63001785) has the molecular formula C12H18F3N3 and a molecular weight of 261.29 g/mol. Its IUPAC name is N-[(3-methylimidazol-4-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-[(3-methylimidazol-4-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine
PubChem CID63001785
Molecular FormulaC12H18F3N3
Molecular Weight261.29 g/mol
Exact Mass261.15
IUPAC NameN-[(3-methylimidazol-4-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine
SMILESCn1cncc1CNC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C12H18F3N3/c1-18-8-16-6-11(18)7-17-10-4-2-9(3-5-10)12(13,14)15/h6,8-10,17H,2-5,7H2,1H3
InChIKeySHWYGYTUZPPMAZ-UHFFFAOYSA-N
XLogP2.63
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(3-methylimidazol-4-yl)methyl]-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 N-[(3-methylimidazol-4-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of N-[(3-methylimidazol-4-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine (CID 63001785) is N-[(3-methylimidazol-4-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for N-[(3-methylimidazol-4-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for N-[(3-methylimidazol-4-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine is Cn1cncc1CNC1CCC(C(F)(F)F)CC1.
What is the InChIKey of N-[(3-methylimidazol-4-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is SHWYGYTUZPPMAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3/c1-18-8-16-6-11(18)7-17-10-4-2-9(3-5-10)12(13,14)15/h6,8-10,17H,2-5,7H2,1H3.
What are the key properties of N-[(3-methylimidazol-4-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine?
N-[(3-methylimidazol-4-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 261.29 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylimidazol-4-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 63001785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).