(2-ethylcyclohexyl)-[2-(trifluoromethyl)cyclohexyl]methanamine

C16H28F3N — CID 105151227

IUPAC(2-ethylcyclohexyl)-[2-(trifluoromethyl)cyclohexyl]methanamine
SMILESCCC1CCCCC1C(N)C1CCCCC1C(F)(F)F
InChIInChI=1S/C16H28F3N/c1-2-11-7-3-4-8-12(11)15(20)13-9-5-6-10-14(13)16(17,18)19/h11-15H,2-10,20H2,1H3
InChIKeyBVVHSINWSRVKMX-UHFFFAOYSA-N
MW291.40 g/mol
LogP4.90
Rot. Bonds3

About (2-ethylcyclohexyl)-[2-(trifluoromethyl)cyclohexyl]methanamine

(2-ethylcyclohexyl)-[2-(trifluoromethyl)cyclohexyl]methanamine (PubChem CID 105151227) has the molecular formula C16H28F3N and a molecular weight of 291.40 g/mol. Its IUPAC name is (2-ethylcyclohexyl)-[2-(trifluoromethyl)cyclohexyl]methanamine.

Molecular Properties

Compound Name(2-ethylcyclohexyl)-[2-(trifluoromethyl)cyclohexyl]methanamine
PubChem CID105151227
Molecular FormulaC16H28F3N
Molecular Weight291.40 g/mol
Exact Mass291.22
IUPAC Name(2-ethylcyclohexyl)-[2-(trifluoromethyl)cyclohexyl]methanamine
SMILESCCC1CCCCC1C(N)C1CCCCC1C(F)(F)F
InChIInChI=1S/C16H28F3N/c1-2-11-7-3-4-8-12(11)15(20)13-9-5-6-10-14(13)16(17,18)19/h11-15H,2-10,20H2,1H3
InChIKeyBVVHSINWSRVKMX-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

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Related Compounds

(2S)-1-ethyl-2-(trifluoromethyl)cyclohexane
CID 135256943
cyclopentyl-(2-ethylcyclohexyl)methanamine
CID 63861297
2-ethyl-1-[2-(trifluoromethyl)cyclohexyl]butan-1-amine
CID 105168584
3-methylidene-1-[2-(trifluoromethyl)cyclohexyl]pentan-1-amine
CID 105164028
1-amino-1-[2-(trifluoromethyl)cyclohexyl]propan-2-one
CID 121371206
1-(2-ethylcyclohexyl)-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propan-1-amine
CID 103311979
2-tert-butylsulfanyl-1-(2-ethylcyclohexyl)ethanamine
CID 65133043
1-(2-ethylcyclohexyl)-3-methylbutan-1-amine
CID 63863455
(2-ethylcyclohexyl)-(3-tricyclo[3.2.1.02,4]octanyl)methanamine
CID 114097365
(2-ethylcyclohexyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine
CID 112680964
oxolan-3-yl-[2-(trifluoromethyl)cyclohexyl]methanamine
CID 105147621
1-(2-ethylcyclohexyl)-N,2,2-trimethylpropan-1-amine
CID 63863276

Frequently Asked Questions

What is the IUPAC name of (2-ethylcyclohexyl)-[2-(trifluoromethyl)cyclohexyl]methanamine?
The IUPAC name of (2-ethylcyclohexyl)-[2-(trifluoromethyl)cyclohexyl]methanamine (CID 105151227) is (2-ethylcyclohexyl)-[2-(trifluoromethyl)cyclohexyl]methanamine.
What is the SMILES notation for (2-ethylcyclohexyl)-[2-(trifluoromethyl)cyclohexyl]methanamine?
The canonical SMILES for (2-ethylcyclohexyl)-[2-(trifluoromethyl)cyclohexyl]methanamine is CCC1CCCCC1C(N)C1CCCCC1C(F)(F)F.
What is the InChIKey of (2-ethylcyclohexyl)-[2-(trifluoromethyl)cyclohexyl]methanamine?
The InChIKey is BVVHSINWSRVKMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28F3N/c1-2-11-7-3-4-8-12(11)15(20)13-9-5-6-10-14(13)16(17,18)19/h11-15H,2-10,20H2,1H3.
What are the key properties of (2-ethylcyclohexyl)-[2-(trifluoromethyl)cyclohexyl]methanamine?
(2-ethylcyclohexyl)-[2-(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 (2-ethylcyclohexyl)-[2-(trifluoromethyl)cyclohexyl]methanamine is sourced from PubChem (CID 105151227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).