N-ethyl-2-methyl-1-[2-(trifluoromethyl)cyclohexyl]prop-2-en-1-amine

C13H22F3N — CID 105163623

IUPACN-ethyl-2-methyl-1-[2-(trifluoromethyl)cyclohexyl]prop-2-en-1-amine
SMILESC=C(C)C(NCC)C1CCCCC1C(F)(F)F
InChIInChI=1S/C13H22F3N/c1-4-17-12(9(2)3)10-7-5-6-8-11(10)13(14,15)16/h10-12,17H,2,4-8H2,1,3H3
InChIKeyAABTXPVYSPOKFT-UHFFFAOYSA-N
MW249.32 g/mol
LogP3.91
Rot. Bonds4

About N-ethyl-2-methyl-1-[2-(trifluoromethyl)cyclohexyl]prop-2-en-1-amine

N-ethyl-2-methyl-1-[2-(trifluoromethyl)cyclohexyl]prop-2-en-1-amine (PubChem CID 105163623) has the molecular formula C13H22F3N and a molecular weight of 249.32 g/mol. Its IUPAC name is N-ethyl-2-methyl-1-[2-(trifluoromethyl)cyclohexyl]prop-2-en-1-amine.

Molecular Properties

Compound NameN-ethyl-2-methyl-1-[2-(trifluoromethyl)cyclohexyl]prop-2-en-1-amine
PubChem CID105163623
Molecular FormulaC13H22F3N
Molecular Weight249.32 g/mol
Exact Mass249.17
IUPAC NameN-ethyl-2-methyl-1-[2-(trifluoromethyl)cyclohexyl]prop-2-en-1-amine
SMILESC=C(C)C(NCC)C1CCCCC1C(F)(F)F
InChIInChI=1S/C13H22F3N/c1-4-17-12(9(2)3)10-7-5-6-8-11(10)13(14,15)16/h10-12,17H,2,4-8H2,1,3H3
InChIKeyAABTXPVYSPOKFT-UHFFFAOYSA-N
XLogP3.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 53.91
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

2-[5-(Trifluoromethyl)hept-1-en-2-yl]piperidine
CID 70329148
3-(4,4-difluorocyclohexyl)-N-ethylprop-1-en-2-amine
CID 138459930
N-butyl-2-methylidene-4-[4-[4-(5,5,5-trifluoropentyl)cyclohexyl]cyclohexyl]butan-1-amine
CID 139457173
1-[(8aR)-6,7-difluoro-1,2,4a,5,6,7,8,8a-octahydroisoquinolin-4-yl]-N-methylpropan-2-amine
CID 154939639
cis-(1R,6R)-2,2-difluoro-6-[4-[propan-2-yl(propyl)amino]but-1-en-2-yl]cyclohexan-1-amine
CID 156429557
N-[1-(4,4-difluorocyclohexyl)ethenyl]propan-2-amine
CID 174336602
N-hex-5-en-2-yl-4-(trifluoromethyl)cyclohexan-1-amine
CID 104581723
N-(2-methylprop-2-enyl)-2-(trifluoromethyl)cyclohexan-1-amine
CID 104696221
N-but-3-en-2-yl-4-(trifluoromethyl)cyclohexan-1-amine
CID 104844773
N-pent-4-en-2-yl-4-(trifluoromethyl)cyclohexan-1-amine
CID 104844790
1-(4,4-difluorocyclohexyl)-N-ethylbut-3-en-1-amine
CID 105108104
N-ethyl-1-[2-(trifluoromethyl)cyclohexyl]but-3-en-1-amine
CID 105108110

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-1-[2-(trifluoromethyl)cyclohexyl]prop-2-en-1-amine?
The IUPAC name of N-ethyl-2-methyl-1-[2-(trifluoromethyl)cyclohexyl]prop-2-en-1-amine (CID 105163623) is N-ethyl-2-methyl-1-[2-(trifluoromethyl)cyclohexyl]prop-2-en-1-amine.
What is the SMILES notation for N-ethyl-2-methyl-1-[2-(trifluoromethyl)cyclohexyl]prop-2-en-1-amine?
The canonical SMILES for N-ethyl-2-methyl-1-[2-(trifluoromethyl)cyclohexyl]prop-2-en-1-amine is C=C(C)C(NCC)C1CCCCC1C(F)(F)F.
What is the InChIKey of N-ethyl-2-methyl-1-[2-(trifluoromethyl)cyclohexyl]prop-2-en-1-amine?
The InChIKey is AABTXPVYSPOKFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3N/c1-4-17-12(9(2)3)10-7-5-6-8-11(10)13(14,15)16/h10-12,17H,2,4-8H2,1,3H3.
What are the key properties of N-ethyl-2-methyl-1-[2-(trifluoromethyl)cyclohexyl]prop-2-en-1-amine?
N-ethyl-2-methyl-1-[2-(trifluoromethyl)cyclohexyl]prop-2-en-1-amine has a molecular weight of 249.32 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-1-[2-(trifluoromethyl)cyclohexyl]prop-2-en-1-amine is sourced from PubChem (CID 105163623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).