N-(cyclohex-3-en-1-ylmethyl)-1-(trifluoromethyl)cyclopropan-1-amine

C11H16F3N — CID 106210364

IUPACN-(cyclohex-3-en-1-ylmethyl)-1-(trifluoromethyl)cyclopropan-1-amine
SMILESFC(F)(F)C1(NCC2CC=CCC2)CC1
InChIInChI=1S/C11H16F3N/c12-11(13,14)10(6-7-10)15-8-9-4-2-1-3-5-9/h1-2,9,15H,3-8H2
InChIKeyAYTAHGCLNOPTLL-UHFFFAOYSA-N
MW219.25 g/mol
LogP3.03
Rot. Bonds3

About N-(cyclohex-3-en-1-ylmethyl)-1-(trifluoromethyl)cyclopropan-1-amine

N-(cyclohex-3-en-1-ylmethyl)-1-(trifluoromethyl)cyclopropan-1-amine (PubChem CID 106210364) has the molecular formula C11H16F3N and a molecular weight of 219.25 g/mol. Its IUPAC name is N-(cyclohex-3-en-1-ylmethyl)-1-(trifluoromethyl)cyclopropan-1-amine.

Molecular Properties

Compound NameN-(cyclohex-3-en-1-ylmethyl)-1-(trifluoromethyl)cyclopropan-1-amine
PubChem CID106210364
Molecular FormulaC11H16F3N
Molecular Weight219.25 g/mol
Exact Mass219.12
IUPAC NameN-(cyclohex-3-en-1-ylmethyl)-1-(trifluoromethyl)cyclopropan-1-amine
SMILESFC(F)(F)C1(NCC2CC=CCC2)CC1
InChIInChI=1S/C11H16F3N/c12-11(13,14)10(6-7-10)15-8-9-4-2-1-3-5-9/h1-2,9,15H,3-8H2
InChIKeyAYTAHGCLNOPTLL-UHFFFAOYSA-N
XLogP3.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.25
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-Cyclohexene-1-methylamine, N-cyclopropyl-
CID 204181
N-[1-[5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]ethyl]propan-1-amine
CID 70842357
1-cyclohex-3-en-1-yl-N-(2-fluoroethyl)propan-2-amine
CID 129045764
N-[(Z)-5-fluoro-4-methyloct-5-enyl]-1-methylcyclopropan-1-amine
CID 139356925
N-[(Z)-5-fluoro-4-methyloct-5-enyl]-1-propan-2-ylcyclopropan-1-amine
CID 154979906
(Z)-5-methyl-N-(4,4,4-trifluorobutyl)oct-6-en-4-amine
CID 163831978
N-(cyclohex-3-en-1-ylmethyl)-2,2,2-trifluoroethanamine
CID 43180485
N-(cyclohex-3-en-1-ylmethyl)-3-(trifluoromethyl)cyclohexan-1-amine
CID 43434394
N-(cyclohex-3-en-1-ylmethyl)-2-(trifluoromethyl)cyclohexan-1-amine
CID 43434484
N-(cyclohex-3-en-1-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 43434610
1-cyclohex-3-en-1-yl-2,2,2-trifluoro-N-methylethanamine
CID 55296158
1-[(1R)-cyclohex-3-en-1-yl]-2,2,2-trifluoro-N-methylethanamine
CID 55296159

Frequently Asked Questions

What is the IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-1-(trifluoromethyl)cyclopropan-1-amine?
The IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-1-(trifluoromethyl)cyclopropan-1-amine (CID 106210364) is N-(cyclohex-3-en-1-ylmethyl)-1-(trifluoromethyl)cyclopropan-1-amine.
What is the SMILES notation for N-(cyclohex-3-en-1-ylmethyl)-1-(trifluoromethyl)cyclopropan-1-amine?
The canonical SMILES for N-(cyclohex-3-en-1-ylmethyl)-1-(trifluoromethyl)cyclopropan-1-amine is FC(F)(F)C1(NCC2CC=CCC2)CC1.
What is the InChIKey of N-(cyclohex-3-en-1-ylmethyl)-1-(trifluoromethyl)cyclopropan-1-amine?
The InChIKey is AYTAHGCLNOPTLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N/c12-11(13,14)10(6-7-10)15-8-9-4-2-1-3-5-9/h1-2,9,15H,3-8H2.
What are the key properties of N-(cyclohex-3-en-1-ylmethyl)-1-(trifluoromethyl)cyclopropan-1-amine?
N-(cyclohex-3-en-1-ylmethyl)-1-(trifluoromethyl)cyclopropan-1-amine has a molecular weight of 219.25 g/mol, XLogP of 3.03, 3 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)-1-(trifluoromethyl)cyclopropan-1-amine is sourced from PubChem (CID 106210364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).