1-(aminomethyl)-N-methyl-N-(3-methylbutan-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine

C14H27F3N2 — CID 64753887

IUPAC1-(aminomethyl)-N-methyl-N-(3-methylbutan-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine
SMILESCC(C)C(C)N(C)C1(CN)CCC(C(F)(F)F)CC1
InChIInChI=1S/C14H27F3N2/c1-10(2)11(3)19(4)13(9-18)7-5-12(6-8-13)14(15,16)17/h10-12H,5-9,18H2,1-4H3
InChIKeyMOQAGODCXBBNHA-UHFFFAOYSA-N
MW280.38 g/mol
LogP3.41
Rot. Bonds4

About 1-(aminomethyl)-N-methyl-N-(3-methylbutan-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine

1-(aminomethyl)-N-methyl-N-(3-methylbutan-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 64753887) has the molecular formula C14H27F3N2 and a molecular weight of 280.38 g/mol. Its IUPAC name is 1-(aminomethyl)-N-methyl-N-(3-methylbutan-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-methyl-N-(3-methylbutan-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine
PubChem CID64753887
Molecular FormulaC14H27F3N2
Molecular Weight280.38 g/mol
Exact Mass280.21
IUPAC Name1-(aminomethyl)-N-methyl-N-(3-methylbutan-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine
SMILESCC(C)C(C)N(C)C1(CN)CCC(C(F)(F)F)CC1
InChIInChI=1S/C14H27F3N2/c1-10(2)11(3)19(4)13(9-18)7-5-12(6-8-13)14(15,16)17/h10-12H,5-9,18H2,1-4H3
InChIKeyMOQAGODCXBBNHA-UHFFFAOYSA-N
XLogP3.41
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(aminomethyl)-N-methyl-N-(3-methylbutan-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-(3-methylbutan-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-methyl-N-(3-methylbutan-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine (CID 64753887) is 1-(aminomethyl)-N-methyl-N-(3-methylbutan-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-methyl-N-(3-methylbutan-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-methyl-N-(3-methylbutan-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine is CC(C)C(C)N(C)C1(CN)CCC(C(F)(F)F)CC1.
What is the InChIKey of 1-(aminomethyl)-N-methyl-N-(3-methylbutan-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is MOQAGODCXBBNHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27F3N2/c1-10(2)11(3)19(4)13(9-18)7-5-12(6-8-13)14(15,16)17/h10-12H,5-9,18H2,1-4H3.
What are the key properties of 1-(aminomethyl)-N-methyl-N-(3-methylbutan-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine?
1-(aminomethyl)-N-methyl-N-(3-methylbutan-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 280.38 g/mol, XLogP of 3.41, 4 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-(3-methylbutan-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 64753887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).