4-amino-6-fluoro-N-methyl-N-propylcyclohex-3-ene-1-carboxamide

C11H19FN2O — CID 70858773

IUPAC4-amino-6-fluoro-N-methyl-N-propylcyclohex-3-ene-1-carboxamide
SMILESCCCN(C)C(=O)C1CC=C(N)CC1F
InChIInChI=1S/C11H19FN2O/c1-3-6-14(2)11(15)9-5-4-8(13)7-10(9)12/h4,9-10H,3,5-7,13H2,1-2H3
InChIKeyMROUFBVTGIUDIX-UHFFFAOYSA-N
MW214.28 g/mol
LogP1.45
Rot. Bonds3

About 4-amino-6-fluoro-N-methyl-N-propylcyclohex-3-ene-1-carboxamide

4-amino-6-fluoro-N-methyl-N-propylcyclohex-3-ene-1-carboxamide (PubChem CID 70858773) has the molecular formula C11H19FN2O and a molecular weight of 214.28 g/mol. Its IUPAC name is 4-amino-6-fluoro-N-methyl-N-propylcyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound Name4-amino-6-fluoro-N-methyl-N-propylcyclohex-3-ene-1-carboxamide
PubChem CID70858773
Molecular FormulaC11H19FN2O
Molecular Weight214.28 g/mol
Exact Mass214.15
IUPAC Name4-amino-6-fluoro-N-methyl-N-propylcyclohex-3-ene-1-carboxamide
SMILESCCCN(C)C(=O)C1CC=C(N)CC1F
InChIInChI=1S/C11H19FN2O/c1-3-6-14(2)11(15)9-5-4-8(13)7-10(9)12/h4,9-10H,3,5-7,13H2,1-2H3
InChIKeyMROUFBVTGIUDIX-UHFFFAOYSA-N
XLogP1.45
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.28
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-N-methyl-N-[(Z)-5-(trifluoromethyl)hept-3-en-2-yl]cyclohex-3-ene-1-carboxamide
CID 70892520
4-amino-N-[(Z,4S)-4-(trifluoromethyl)hex-2-enyl]cyclohex-3-ene-1-carboxamide
CID 70974417
2-ethyl-N-(2-fluorocyclohex-2-en-1-yl)pentanamide
CID 157204878
N-(1-fluoropropan-2-yl)cyclohex-3-ene-1-carboxamide
CID 130611470
1-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-5-aminopentan-1-one
CID 66794527
3-[(Z)-2-amino-3-[methyl(3-methylbutyl)amino]prop-2-enyl]-1-methylpiperidin-2-one
CID 142115148
(1R)-4-[4-(dimethylamino)heptylamino]cyclohex-3-ene-1-carboxamide
CID 164055485
4-(4-Methylpiperazin-1-yl)cyclohex-3-ene-1-carboxamide
CID 166774536
5-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-2-methyl-5-oxopentanamide
CID 174678287
1-(Cyclohexen-1-yl)-4-methylpiperidin-2-one
CID 10352594
5-amino-N-(cyclohex-3-en-1-ylmethyl)-4-methylpentanamide
CID 82011113
5-amino-N-(cyclohex-3-en-1-ylmethyl)-2-methylpentanamide
CID 104684940

Frequently Asked Questions

What is the IUPAC name of 4-amino-6-fluoro-N-methyl-N-propylcyclohex-3-ene-1-carboxamide?
The IUPAC name of 4-amino-6-fluoro-N-methyl-N-propylcyclohex-3-ene-1-carboxamide (CID 70858773) is 4-amino-6-fluoro-N-methyl-N-propylcyclohex-3-ene-1-carboxamide.
What is the SMILES notation for 4-amino-6-fluoro-N-methyl-N-propylcyclohex-3-ene-1-carboxamide?
The canonical SMILES for 4-amino-6-fluoro-N-methyl-N-propylcyclohex-3-ene-1-carboxamide is CCCN(C)C(=O)C1CC=C(N)CC1F.
What is the InChIKey of 4-amino-6-fluoro-N-methyl-N-propylcyclohex-3-ene-1-carboxamide?
The InChIKey is MROUFBVTGIUDIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19FN2O/c1-3-6-14(2)11(15)9-5-4-8(13)7-10(9)12/h4,9-10H,3,5-7,13H2,1-2H3.
What are the key properties of 4-amino-6-fluoro-N-methyl-N-propylcyclohex-3-ene-1-carboxamide?
4-amino-6-fluoro-N-methyl-N-propylcyclohex-3-ene-1-carboxamide has a molecular weight of 214.28 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-fluoro-N-methyl-N-propylcyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 70858773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).