(3-ethylcyclohexyl)-[3-(trifluoromethyl)cyclohexyl]methanamine

C16H28F3N — CID 105156191

IUPAC(3-ethylcyclohexyl)-[3-(trifluoromethyl)cyclohexyl]methanamine
SMILESCCC1CCCC(C(N)C2CCCC(C(F)(F)F)C2)C1
InChIInChI=1S/C16H28F3N/c1-2-11-5-3-6-12(9-11)15(20)13-7-4-8-14(10-13)16(17,18)19/h11-15H,2-10,20H2,1H3
InChIKeyKIXDRMYVIQJUJN-UHFFFAOYSA-N
MW291.40 g/mol
LogP4.90
Rot. Bonds3

About (3-ethylcyclohexyl)-[3-(trifluoromethyl)cyclohexyl]methanamine

(3-ethylcyclohexyl)-[3-(trifluoromethyl)cyclohexyl]methanamine (PubChem CID 105156191) has the molecular formula C16H28F3N and a molecular weight of 291.40 g/mol. Its IUPAC name is (3-ethylcyclohexyl)-[3-(trifluoromethyl)cyclohexyl]methanamine.

Molecular Properties

Compound Name(3-ethylcyclohexyl)-[3-(trifluoromethyl)cyclohexyl]methanamine
PubChem CID105156191
Molecular FormulaC16H28F3N
Molecular Weight291.40 g/mol
Exact Mass291.22
IUPAC Name(3-ethylcyclohexyl)-[3-(trifluoromethyl)cyclohexyl]methanamine
SMILESCCC1CCCC(C(N)C2CCCC(C(F)(F)F)C2)C1
InChIInChI=1S/C16H28F3N/c1-2-11-5-3-6-12(9-11)15(20)13-7-4-8-14(10-13)16(17,18)19/h11-15H,2-10,20H2,1H3
InChIKeyKIXDRMYVIQJUJN-UHFFFAOYSA-N
XLogP4.90
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (3-ethylcyclohexyl)-[3-(trifluoromethyl)cyclohexyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cyclohexyl-[3-(trifluoromethyl)cyclohexyl]methanamine
CID 105079907
oxan-4-yl-[3-(trifluoromethyl)cyclohexyl]methanamine
CID 105147261
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(3-ethylcyclohexyl)methanamine
CID 104992511
3-methyl-1-[3-(trifluoromethyl)cyclohexyl]but-3-en-1-amine
CID 105163124
cyclobutyl-[4-(trifluoromethyl)cyclohexyl]methanamine
CID 105187570
(3S)-1-propan-2-yl-3-(trifluoromethyl)cyclohexane
CID 146632246
2-chloro-1-(3-ethylcyclohexyl)-2,2-difluoroethanol
CID 112575163
(3-ethylcyclohexyl)-(oxolan-2-yl)methanamine
CID 65331148
[1-(3-ethylcyclohexyl)-3,3,3-trifluoropropyl]hydrazine
CID 105206001
N-[2-cyclobutyl-1-[3-(trifluoromethyl)cyclohexyl]ethyl]propan-1-amine
CID 105151620
(1,4-dimethylpiperazin-2-yl)-(3-ethylcyclohexyl)methanamine
CID 79658674
1-[3-(trifluoromethyl)cyclohexyl]pent-3-yn-1-amine
CID 105112547

Frequently Asked Questions

What is the IUPAC name of (3-ethylcyclohexyl)-[3-(trifluoromethyl)cyclohexyl]methanamine?
The IUPAC name of (3-ethylcyclohexyl)-[3-(trifluoromethyl)cyclohexyl]methanamine (CID 105156191) is (3-ethylcyclohexyl)-[3-(trifluoromethyl)cyclohexyl]methanamine.
What is the SMILES notation for (3-ethylcyclohexyl)-[3-(trifluoromethyl)cyclohexyl]methanamine?
The canonical SMILES for (3-ethylcyclohexyl)-[3-(trifluoromethyl)cyclohexyl]methanamine is CCC1CCCC(C(N)C2CCCC(C(F)(F)F)C2)C1.
What is the InChIKey of (3-ethylcyclohexyl)-[3-(trifluoromethyl)cyclohexyl]methanamine?
The InChIKey is KIXDRMYVIQJUJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28F3N/c1-2-11-5-3-6-12(9-11)15(20)13-7-4-8-14(10-13)16(17,18)19/h11-15H,2-10,20H2,1H3.
What are the key properties of (3-ethylcyclohexyl)-[3-(trifluoromethyl)cyclohexyl]methanamine?
(3-ethylcyclohexyl)-[3-(trifluoromethyl)cyclohexyl]methanamine has a molecular weight of 291.40 g/mol, XLogP of 4.90, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethylcyclohexyl)-[3-(trifluoromethyl)cyclohexyl]methanamine is sourced from PubChem (CID 105156191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).