(1R)-N-hexa-1,3-dien-3-yl-3-(2-piperidin-1-ylethyl)-5-(trifluoromethyl)cyclohexan-1-amine

C20H33F3N2 — CID 138519745

IUPAC(1R)-N-hexa-1,3-dien-3-yl-3-(2-piperidin-1-ylethyl)-5-(trifluoromethyl)cyclohexan-1-amine
SMILESC=CC(=CCC)N[C@@H]1CC(CCN2CCCCC2)CC(C(F)(F)F)C1
InChIInChI=1S/C20H33F3N2/c1-3-8-18(4-2)24-19-14-16(13-17(15-19)20(21,22)23)9-12-25-10-6-5-7-11-25/h4,8,16-17,19,24H,2-3,5-7,9-15H2,1H3/t16?,17?,19-/m1/s1
InChIKeyGHHNJQZKJPAERI-FAFZWHIHSA-N
MW358.49 g/mol
LogP5.28
Rot. Bonds7

About (1R)-N-hexa-1,3-dien-3-yl-3-(2-piperidin-1-ylethyl)-5-(trifluoromethyl)cyclohexan-1-amine

(1R)-N-hexa-1,3-dien-3-yl-3-(2-piperidin-1-ylethyl)-5-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 138519745) has the molecular formula C20H33F3N2 and a molecular weight of 358.49 g/mol. Its IUPAC name is (1R)-N-hexa-1,3-dien-3-yl-3-(2-piperidin-1-ylethyl)-5-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name(1R)-N-hexa-1,3-dien-3-yl-3-(2-piperidin-1-ylethyl)-5-(trifluoromethyl)cyclohexan-1-amine
PubChem CID138519745
Molecular FormulaC20H33F3N2
Molecular Weight358.49 g/mol
Exact Mass358.26
IUPAC Name(1R)-N-hexa-1,3-dien-3-yl-3-(2-piperidin-1-ylethyl)-5-(trifluoromethyl)cyclohexan-1-amine
SMILESC=CC(=CCC)N[C@@H]1CC(CCN2CCCCC2)CC(C(F)(F)F)C1
InChIInChI=1S/C20H33F3N2/c1-3-8-18(4-2)24-19-14-16(13-17(15-19)20(21,22)23)9-12-25-10-6-5-7-11-25/h4,8,16-17,19,24H,2-3,5-7,9-15H2,1H3/t16?,17?,19-/m1/s1
InChIKeyGHHNJQZKJPAERI-FAFZWHIHSA-N
XLogP5.28
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.49
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (1R)-N-hexa-1,3-dien-3-yl-3-(2-piperidin-1-ylethyl)-5-(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 (1R)-N-hexa-1,3-dien-3-yl-3-(2-piperidin-1-ylethyl)-5-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of (1R)-N-hexa-1,3-dien-3-yl-3-(2-piperidin-1-ylethyl)-5-(trifluoromethyl)cyclohexan-1-amine (CID 138519745) is (1R)-N-hexa-1,3-dien-3-yl-3-(2-piperidin-1-ylethyl)-5-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for (1R)-N-hexa-1,3-dien-3-yl-3-(2-piperidin-1-ylethyl)-5-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for (1R)-N-hexa-1,3-dien-3-yl-3-(2-piperidin-1-ylethyl)-5-(trifluoromethyl)cyclohexan-1-amine is C=CC(=CCC)N[C@@H]1CC(CCN2CCCCC2)CC(C(F)(F)F)C1.
What is the InChIKey of (1R)-N-hexa-1,3-dien-3-yl-3-(2-piperidin-1-ylethyl)-5-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is GHHNJQZKJPAERI-FAFZWHIHSA-N. The full InChI is InChI=1S/C20H33F3N2/c1-3-8-18(4-2)24-19-14-16(13-17(15-19)20(21,22)23)9-12-25-10-6-5-7-11-25/h4,8,16-17,19,24H,2-3,5-7,9-15H2,1H3/t16?,17?,19-/m1/s1.
What are the key properties of (1R)-N-hexa-1,3-dien-3-yl-3-(2-piperidin-1-ylethyl)-5-(trifluoromethyl)cyclohexan-1-amine?
(1R)-N-hexa-1,3-dien-3-yl-3-(2-piperidin-1-ylethyl)-5-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 358.49 g/mol, XLogP of 5.28, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-hexa-1,3-dien-3-yl-3-(2-piperidin-1-ylethyl)-5-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 138519745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).