N-ethyl-3-(4-fluoro-4-methylcyclohexyl)prop-1-en-2-amine

C12H22FN — CID 138459920

IUPACN-ethyl-3-(4-fluoro-4-methylcyclohexyl)prop-1-en-2-amine
SMILESC=C(CC1CCC(C)(F)CC1)NCC
InChIInChI=1S/C12H22FN/c1-4-14-10(2)9-11-5-7-12(3,13)8-6-11/h11,14H,2,4-9H2,1,3H3
InChIKeyCRCJSVQEDJUGPB-UHFFFAOYSA-N
MW199.31 g/mol
LogP3.42
Rot. Bonds4

About N-ethyl-3-(4-fluoro-4-methylcyclohexyl)prop-1-en-2-amine

N-ethyl-3-(4-fluoro-4-methylcyclohexyl)prop-1-en-2-amine (PubChem CID 138459920) has the molecular formula C12H22FN and a molecular weight of 199.31 g/mol. Its IUPAC name is N-ethyl-3-(4-fluoro-4-methylcyclohexyl)prop-1-en-2-amine.

Molecular Properties

Compound NameN-ethyl-3-(4-fluoro-4-methylcyclohexyl)prop-1-en-2-amine
PubChem CID138459920
Molecular FormulaC12H22FN
Molecular Weight199.31 g/mol
Exact Mass199.17
IUPAC NameN-ethyl-3-(4-fluoro-4-methylcyclohexyl)prop-1-en-2-amine
SMILESC=C(CC1CCC(C)(F)CC1)NCC
InChIInChI=1S/C12H22FN/c1-4-14-10(2)9-11-5-7-12(3,13)8-6-11/h11,14H,2,4-9H2,1,3H3
InChIKeyCRCJSVQEDJUGPB-UHFFFAOYSA-N
XLogP3.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.31
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-ethyl-N-[1-[(1R)-2-fluorocyclopropyl]ethenyl]cyclohexan-1-amine
CID 89108112
N-(3-fluorobut-3-enyl)-4,4,7,8-tetramethylnon-1-en-2-amine
CID 126559121
3-(4,4-difluorocyclohexyl)-N-ethylprop-1-en-2-amine
CID 138459930
3,5-dimethyl-N-(2,2,2-trifluoroethyl)hept-1-en-2-amine
CID 143513257
2-fluoro-2-methyl-N-[4-[(1S,4S)-4-methylcycloheptyl]but-1-en-2-yl]propan-1-amine
CID 156099681
N-[3-(4-fluoro-4-methylcyclohexyl)prop-1-en-2-yl]-N,2-dimethylprop-2-en-1-amine
CID 156426138
8-Fluoro-3-methylidene-2-azaspiro[4.5]decane
CID 166808770
2-fluoro-3,3,10-trimethyl-N-(3-methylbut-1-en-2-yl)undec-10-en-1-amine
CID 169881078
N-(3-cyclohexylpropyl)-11-fluoroundec-1-en-2-amine
CID 169971563
2-fluoro-N',3-dimethyl-N-(3-methylbut-1-en-2-yl)hexane-1,6-diamine
CID 170040888
2-fluoro-3,11-dimethyl-N-(3-methylbut-1-en-2-yl)-10-methylidenedodecan-1-amine
CID 174252655
N-[1-(4,4-difluorocyclohexyl)ethenyl]propan-2-amine
CID 174336602

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(4-fluoro-4-methylcyclohexyl)prop-1-en-2-amine?
The IUPAC name of N-ethyl-3-(4-fluoro-4-methylcyclohexyl)prop-1-en-2-amine (CID 138459920) is N-ethyl-3-(4-fluoro-4-methylcyclohexyl)prop-1-en-2-amine.
What is the SMILES notation for N-ethyl-3-(4-fluoro-4-methylcyclohexyl)prop-1-en-2-amine?
The canonical SMILES for N-ethyl-3-(4-fluoro-4-methylcyclohexyl)prop-1-en-2-amine is C=C(CC1CCC(C)(F)CC1)NCC.
What is the InChIKey of N-ethyl-3-(4-fluoro-4-methylcyclohexyl)prop-1-en-2-amine?
The InChIKey is CRCJSVQEDJUGPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22FN/c1-4-14-10(2)9-11-5-7-12(3,13)8-6-11/h11,14H,2,4-9H2,1,3H3.
What are the key properties of N-ethyl-3-(4-fluoro-4-methylcyclohexyl)prop-1-en-2-amine?
N-ethyl-3-(4-fluoro-4-methylcyclohexyl)prop-1-en-2-amine has a molecular weight of 199.31 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(4-fluoro-4-methylcyclohexyl)prop-1-en-2-amine is sourced from PubChem (CID 138459920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).