1-(aminomethyl)-N-methyl-N-pentan-2-yl-4-(trifluoromethyl)cyclohexan-1-amine

C14H27F3N2 — CID 64753889

IUPAC1-(aminomethyl)-N-methyl-N-pentan-2-yl-4-(trifluoromethyl)cyclohexan-1-amine
SMILESCCCC(C)N(C)C1(CN)CCC(C(F)(F)F)CC1
InChIInChI=1S/C14H27F3N2/c1-4-5-11(2)19(3)13(10-18)8-6-12(7-9-13)14(15,16)17/h11-12H,4-10,18H2,1-3H3
InChIKeyYPHNDJCRZBXHCF-UHFFFAOYSA-N
MW280.38 g/mol
LogP3.56
Rot. Bonds5

About 1-(aminomethyl)-N-methyl-N-pentan-2-yl-4-(trifluoromethyl)cyclohexan-1-amine

1-(aminomethyl)-N-methyl-N-pentan-2-yl-4-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 64753889) has the molecular formula C14H27F3N2 and a molecular weight of 280.38 g/mol. Its IUPAC name is 1-(aminomethyl)-N-methyl-N-pentan-2-yl-4-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-methyl-N-pentan-2-yl-4-(trifluoromethyl)cyclohexan-1-amine
PubChem CID64753889
Molecular FormulaC14H27F3N2
Molecular Weight280.38 g/mol
Exact Mass280.21
IUPAC Name1-(aminomethyl)-N-methyl-N-pentan-2-yl-4-(trifluoromethyl)cyclohexan-1-amine
SMILESCCCC(C)N(C)C1(CN)CCC(C(F)(F)F)CC1
InChIInChI=1S/C14H27F3N2/c1-4-5-11(2)19(3)13(10-18)8-6-12(7-9-13)14(15,16)17/h11-12H,4-10,18H2,1-3H3
InChIKeyYPHNDJCRZBXHCF-UHFFFAOYSA-N
XLogP3.56
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(aminomethyl)-N-methyl-N-pentan-2-yl-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-methyl-N-pentan-2-yl-4-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-methyl-N-pentan-2-yl-4-(trifluoromethyl)cyclohexan-1-amine (CID 64753889) is 1-(aminomethyl)-N-methyl-N-pentan-2-yl-4-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-methyl-N-pentan-2-yl-4-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-methyl-N-pentan-2-yl-4-(trifluoromethyl)cyclohexan-1-amine is CCCC(C)N(C)C1(CN)CCC(C(F)(F)F)CC1.
What is the InChIKey of 1-(aminomethyl)-N-methyl-N-pentan-2-yl-4-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is YPHNDJCRZBXHCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27F3N2/c1-4-5-11(2)19(3)13(10-18)8-6-12(7-9-13)14(15,16)17/h11-12H,4-10,18H2,1-3H3.
What are the key properties of 1-(aminomethyl)-N-methyl-N-pentan-2-yl-4-(trifluoromethyl)cyclohexan-1-amine?
1-(aminomethyl)-N-methyl-N-pentan-2-yl-4-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 280.38 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-methyl-N-pentan-2-yl-4-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 64753889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).