4-methyl-2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-N-propylcyclohexan-1-amine

C16H31F3N2 — CID 62609084

IUPAC4-methyl-2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-N-propylcyclohexan-1-amine
SMILESCCCNC1CCC(C)CC1CN(CC(F)(F)F)C(C)C
InChIInChI=1S/C16H31F3N2/c1-5-8-20-15-7-6-13(4)9-14(15)10-21(12(2)3)11-16(17,18)19/h12-15,20H,5-11H2,1-4H3
InChIKeyLNIJFSMHVURHAK-UHFFFAOYSA-N
MW308.43 g/mol
LogP4.06
Rot. Bonds7

About 4-methyl-2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-N-propylcyclohexan-1-amine

4-methyl-2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-N-propylcyclohexan-1-amine (PubChem CID 62609084) has the molecular formula C16H31F3N2 and a molecular weight of 308.43 g/mol. Its IUPAC name is 4-methyl-2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name4-methyl-2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-N-propylcyclohexan-1-amine
PubChem CID62609084
Molecular FormulaC16H31F3N2
Molecular Weight308.43 g/mol
Exact Mass308.24
IUPAC Name4-methyl-2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-N-propylcyclohexan-1-amine
SMILESCCCNC1CCC(C)CC1CN(CC(F)(F)F)C(C)C
InChIInChI=1S/C16H31F3N2/c1-5-8-20-15-7-6-13(4)9-14(15)10-21(12(2)3)11-16(17,18)19/h12-15,20H,5-11H2,1-4H3
InChIKeyLNIJFSMHVURHAK-UHFFFAOYSA-N
XLogP4.06
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-methyl-2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-N-propylcyclohexan-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 4-methyl-2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-N-propylcyclohexan-1-amine?
The IUPAC name of 4-methyl-2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-N-propylcyclohexan-1-amine (CID 62609084) is 4-methyl-2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-N-propylcyclohexan-1-amine.
What is the SMILES notation for 4-methyl-2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-N-propylcyclohexan-1-amine?
The canonical SMILES for 4-methyl-2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-N-propylcyclohexan-1-amine is CCCNC1CCC(C)CC1CN(CC(F)(F)F)C(C)C.
What is the InChIKey of 4-methyl-2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-N-propylcyclohexan-1-amine?
The InChIKey is LNIJFSMHVURHAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31F3N2/c1-5-8-20-15-7-6-13(4)9-14(15)10-21(12(2)3)11-16(17,18)19/h12-15,20H,5-11H2,1-4H3.
What are the key properties of 4-methyl-2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-N-propylcyclohexan-1-amine?
4-methyl-2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-N-propylcyclohexan-1-amine has a molecular weight of 308.43 g/mol, XLogP of 4.06, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-N-propylcyclohexan-1-amine is sourced from PubChem (CID 62609084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).