1-[2-[(Z)-(4-ethyl-6-fluoro-2-methylidene-1H-azepin-3-ylidene)methyl]-3,5-dimethyl-2,3-dihydro-1H-pyrrol-4-yl]ethenamine

C18H24FN3 — CID 155719430

IUPAC1-[2-[(Z)-(4-ethyl-6-fluoro-2-methylidene-1H-azepin-3-ylidene)methyl]-3,5-dimethyl-2,3-dihydro-1H-pyrrol-4-yl]ethenamine
SMILESC=C(N)C1=C(C)NC(/C=C2\C(=C)NC=C(F)C=C2CC)C1C
InChIInChI=1S/C18H24FN3/c1-6-14-7-15(19)9-21-12(4)16(14)8-17-10(2)18(11(3)20)13(5)22-17/h7-10,17,21-22H,3-4,6,20H2,1-2,5H3/b16-8+
InChIKeyGMDXQNZUEAOFLC-LZYBPNLTSA-N
MW301.41 g/mol
LogP3.53
Rot. Bonds3

About 1-[2-[(Z)-(4-ethyl-6-fluoro-2-methylidene-1H-azepin-3-ylidene)methyl]-3,5-dimethyl-2,3-dihydro-1H-pyrrol-4-yl]ethenamine

1-[2-[(Z)-(4-ethyl-6-fluoro-2-methylidene-1H-azepin-3-ylidene)methyl]-3,5-dimethyl-2,3-dihydro-1H-pyrrol-4-yl]ethenamine (PubChem CID 155719430) has the molecular formula C18H24FN3 and a molecular weight of 301.41 g/mol. Its IUPAC name is 1-[2-[(Z)-(4-ethyl-6-fluoro-2-methylidene-1H-azepin-3-ylidene)methyl]-3,5-dimethyl-2,3-dihydro-1H-pyrrol-4-yl]ethenamine.

Molecular Properties

Compound Name1-[2-[(Z)-(4-ethyl-6-fluoro-2-methylidene-1H-azepin-3-ylidene)methyl]-3,5-dimethyl-2,3-dihydro-1H-pyrrol-4-yl]ethenamine
PubChem CID155719430
Molecular FormulaC18H24FN3
Molecular Weight301.41 g/mol
Exact Mass301.20
IUPAC Name1-[2-[(Z)-(4-ethyl-6-fluoro-2-methylidene-1H-azepin-3-ylidene)methyl]-3,5-dimethyl-2,3-dihydro-1H-pyrrol-4-yl]ethenamine
SMILESC=C(N)C1=C(C)NC(/C=C2\C(=C)NC=C(F)C=C2CC)C1C
InChIInChI=1S/C18H24FN3/c1-6-14-7-15(19)9-21-12(4)16(14)8-17-10(2)18(11(3)20)13(5)22-17/h7-10,17,21-22H,3-4,6,20H2,1-2,5H3/b16-8+
InChIKeyGMDXQNZUEAOFLC-LZYBPNLTSA-N
XLogP3.53
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 53.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[2-[(Z)-(4-ethyl-6-fluoro-2-methylidene-1H-azepin-3-ylidene)methyl]-3,5-dimethyl-2,3-dihydro-1H-pyrrol-4-yl]ethenamine 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

(4R,6Z,8E)-6-ethyl-8-fluoro-4-methyl-N-[(4Z,6Z)-6-methyl-3-methylideneocta-4,6-dien-2-yl]undeca-1,6,8,10-tetraen-2-amine
CID 88997990
5-fluoro-3-(1-propan-2-ylpiperidin-4-yl)-5,6-dihydro-1H-indole
CID 123995432
3-N-[(3E,5E,6E)-5-[(Z)-but-2-enylidene]-10-fluoro-4,10-dimethylundeca-1,3,6-trien-2-yl]-1-N-ethenyl-2-ethylbut-3-ene-1,3-diamine
CID 130285114
(3E,5Z,7Z)-3-ethylidene-N-(2-fluoroethyl)-5,7-dimethyl-4-methylidenenona-1,5,7-trien-2-amine
CID 130349581
(3E,5Z)-6-N-(1-cyclopropylpropyl)-5-fluoro-3-prop-1-en-2-ylhepta-1,3,5-triene-2,6-diamine
CID 134187781
5-fluoro-N-methyl-4-[2-methyl-5-pentan-2-yl-3-(trifluoromethyl)-3H-pyrazol-1-yl]cyclohepta-1,3,5-trien-1-amine
CID 134377754
[2-Ethyl-6-(2-fluoro-1,2-dihydropyridin-5-yl)-1-methyl-2,3,6,7-tetrahydroindol-3-yl]methanamine
CID 134581918
2-Methyl-6-(pyrrolidin-3-ylmethyl)-4-(trifluoromethyl)-1,2-dihydropyridine
CID 135135451
3-Fluoro-5-methyl-6-(pyrrolidin-3-ylmethyl)-1,2-dihydropyridine
CID 135135496
(1E,3E,5E)-8-N-[(2E)-2-ethenyl-4-fluoropenta-2,4-dienyl]-1-N,2,3,6-tetramethylnona-1,3,5,8-tetraene-1,8-diamine
CID 137465227
4-(4-ethylcyclohexa-1,5-dien-1-yl)-2-[(3Z)-2-fluorohexa-3,5-dien-3-yl]-2,5-dihydro-1H-pyrrole
CID 139314624
ethane;N-methyl-2-[2-methyl-4-[6-(trifluoromethyl)cyclohepta-1,4,6-trien-1-yl]-1,2,3,7-tetrahydrocyclohepta[b]pyrrol-3-yl]ethanamine
CID 142130665

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(Z)-(4-ethyl-6-fluoro-2-methylidene-1H-azepin-3-ylidene)methyl]-3,5-dimethyl-2,3-dihydro-1H-pyrrol-4-yl]ethenamine?
The IUPAC name of 1-[2-[(Z)-(4-ethyl-6-fluoro-2-methylidene-1H-azepin-3-ylidene)methyl]-3,5-dimethyl-2,3-dihydro-1H-pyrrol-4-yl]ethenamine (CID 155719430) is 1-[2-[(Z)-(4-ethyl-6-fluoro-2-methylidene-1H-azepin-3-ylidene)methyl]-3,5-dimethyl-2,3-dihydro-1H-pyrrol-4-yl]ethenamine.
What is the SMILES notation for 1-[2-[(Z)-(4-ethyl-6-fluoro-2-methylidene-1H-azepin-3-ylidene)methyl]-3,5-dimethyl-2,3-dihydro-1H-pyrrol-4-yl]ethenamine?
The canonical SMILES for 1-[2-[(Z)-(4-ethyl-6-fluoro-2-methylidene-1H-azepin-3-ylidene)methyl]-3,5-dimethyl-2,3-dihydro-1H-pyrrol-4-yl]ethenamine is C=C(N)C1=C(C)NC(/C=C2\C(=C)NC=C(F)C=C2CC)C1C.
What is the InChIKey of 1-[2-[(Z)-(4-ethyl-6-fluoro-2-methylidene-1H-azepin-3-ylidene)methyl]-3,5-dimethyl-2,3-dihydro-1H-pyrrol-4-yl]ethenamine?
The InChIKey is GMDXQNZUEAOFLC-LZYBPNLTSA-N. The full InChI is InChI=1S/C18H24FN3/c1-6-14-7-15(19)9-21-12(4)16(14)8-17-10(2)18(11(3)20)13(5)22-17/h7-10,17,21-22H,3-4,6,20H2,1-2,5H3/b16-8+.
What are the key properties of 1-[2-[(Z)-(4-ethyl-6-fluoro-2-methylidene-1H-azepin-3-ylidene)methyl]-3,5-dimethyl-2,3-dihydro-1H-pyrrol-4-yl]ethenamine?
1-[2-[(Z)-(4-ethyl-6-fluoro-2-methylidene-1H-azepin-3-ylidene)methyl]-3,5-dimethyl-2,3-dihydro-1H-pyrrol-4-yl]ethenamine has a molecular weight of 301.41 g/mol, XLogP of 3.53, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(Z)-(4-ethyl-6-fluoro-2-methylidene-1H-azepin-3-ylidene)methyl]-3,5-dimethyl-2,3-dihydro-1H-pyrrol-4-yl]ethenamine is sourced from PubChem (CID 155719430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).