N-(cyclohex-3-en-1-ylmethyl)-5,5,5-trifluoropentan-1-amine

C12H20F3N — CID 115491499

IUPACN-(cyclohex-3-en-1-ylmethyl)-5,5,5-trifluoropentan-1-amine
SMILESFC(F)(F)CCCCNCC1CC=CCC1
InChIInChI=1S/C12H20F3N/c13-12(14,15)8-4-5-9-16-10-11-6-2-1-3-7-11/h1-2,11,16H,3-10H2
InChIKeyKRVHSXQUPMGBEI-UHFFFAOYSA-N
MW235.29 g/mol
LogP3.66
Rot. Bonds6

About N-(cyclohex-3-en-1-ylmethyl)-5,5,5-trifluoropentan-1-amine

N-(cyclohex-3-en-1-ylmethyl)-5,5,5-trifluoropentan-1-amine (PubChem CID 115491499) has the molecular formula C12H20F3N and a molecular weight of 235.29 g/mol. Its IUPAC name is N-(cyclohex-3-en-1-ylmethyl)-5,5,5-trifluoropentan-1-amine.

Molecular Properties

Compound NameN-(cyclohex-3-en-1-ylmethyl)-5,5,5-trifluoropentan-1-amine
PubChem CID115491499
Molecular FormulaC12H20F3N
Molecular Weight235.29 g/mol
Exact Mass235.15
IUPAC NameN-(cyclohex-3-en-1-ylmethyl)-5,5,5-trifluoropentan-1-amine
SMILESFC(F)(F)CCCCNCC1CC=CCC1
InChIInChI=1S/C12H20F3N/c13-12(14,15)8-4-5-9-16-10-11-6-2-1-3-7-11/h1-2,11,16H,3-10H2
InChIKeyKRVHSXQUPMGBEI-UHFFFAOYSA-N
XLogP3.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(cyclohex-3-en-1-ylmethyl)-5,5,5-trifluoropentan-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

Related Compounds

3-Cyclohexene-1-methylamine, N-cyclopropyl-
CID 204181
{[(1R)-cyclohex-3-en-1-yl]methyl}(methyl)amine hydrochloride
CID 177798572
{[(1S)-cyclohex-3-en-1-yl]methyl}(methyl)amine hydrochloride
CID 177798581
4-[4-(Trifluoromethyl)cyclohexa-1,5-dien-1-yl]piperidine
CID 68363150
6-(Trifluoromethyl)-11-azabicyclo[7.3.1]trideca-2,4,6-triene
CID 69530943
5,6-Difluoro-11-azabicyclo[7.3.1]trideca-2,4,6-triene
CID 69826954
N-[1-[5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]ethyl]propan-1-amine
CID 70842357
[(1R,4S)-4-(trifluoromethyl)cyclohex-2-en-1-yl]methanamine
CID 89073823
4-[(E)-1-fluorohex-3-en-3-yl]piperidine
CID 89168225
(Z)-N-ethyl-2-[(2S)-2-fluoropentan-3-yl]pent-3-en-1-amine
CID 90261572
6-(1,1-Difluoroethyl)-4-propan-2-yl-1,2,3,6-tetrahydropyridine
CID 118357208
1-cyclohex-3-en-1-yl-N-(2-fluoroethyl)propan-2-amine
CID 129045764

Frequently Asked Questions

What is the IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-5,5,5-trifluoropentan-1-amine?
The IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-5,5,5-trifluoropentan-1-amine (CID 115491499) is N-(cyclohex-3-en-1-ylmethyl)-5,5,5-trifluoropentan-1-amine.
What is the SMILES notation for N-(cyclohex-3-en-1-ylmethyl)-5,5,5-trifluoropentan-1-amine?
The canonical SMILES for N-(cyclohex-3-en-1-ylmethyl)-5,5,5-trifluoropentan-1-amine is FC(F)(F)CCCCNCC1CC=CCC1.
What is the InChIKey of N-(cyclohex-3-en-1-ylmethyl)-5,5,5-trifluoropentan-1-amine?
The InChIKey is KRVHSXQUPMGBEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3N/c13-12(14,15)8-4-5-9-16-10-11-6-2-1-3-7-11/h1-2,11,16H,3-10H2.
What are the key properties of N-(cyclohex-3-en-1-ylmethyl)-5,5,5-trifluoropentan-1-amine?
N-(cyclohex-3-en-1-ylmethyl)-5,5,5-trifluoropentan-1-amine has a molecular weight of 235.29 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohex-3-en-1-ylmethyl)-5,5,5-trifluoropentan-1-amine is sourced from PubChem (CID 115491499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).