5-(difluoromethyl)-N-[(5Z)-7-methyliminonona-2,5-dien-4-yl]cyclohepta-1,3,5-trien-1-amine

C18H24F2N2 — CID 143431231

IUPAC5-(difluoromethyl)-N-[(5Z)-7-methyliminonona-2,5-dien-4-yl]cyclohepta-1,3,5-trien-1-amine
SMILESCC=CC(/C=C\C(CC)=N\C)NC1=CC=CC(C(F)F)=CC1
InChIInChI=1S/C18H24F2N2/c1-4-7-16(13-12-15(5-2)21-3)22-17-9-6-8-14(10-11-17)18(19)20/h4,6-10,12-13,16,18,22H,5,11H2,1-3H3/b7-4?,13-12-,21-15+
InChIKeyNLLIAEYIJVAPFU-MLBIRNDZSA-N
MW306.40 g/mol
LogP4.59
Rot. Bonds7

About 5-(difluoromethyl)-N-[(5Z)-7-methyliminonona-2,5-dien-4-yl]cyclohepta-1,3,5-trien-1-amine

5-(difluoromethyl)-N-[(5Z)-7-methyliminonona-2,5-dien-4-yl]cyclohepta-1,3,5-trien-1-amine (PubChem CID 143431231) has the molecular formula C18H24F2N2 and a molecular weight of 306.40 g/mol. Its IUPAC name is 5-(difluoromethyl)-N-[(5Z)-7-methyliminonona-2,5-dien-4-yl]cyclohepta-1,3,5-trien-1-amine.

Molecular Properties

Compound Name5-(difluoromethyl)-N-[(5Z)-7-methyliminonona-2,5-dien-4-yl]cyclohepta-1,3,5-trien-1-amine
PubChem CID143431231
Molecular FormulaC18H24F2N2
Molecular Weight306.40 g/mol
Exact Mass306.19
IUPAC Name5-(difluoromethyl)-N-[(5Z)-7-methyliminonona-2,5-dien-4-yl]cyclohepta-1,3,5-trien-1-amine
SMILESCC=CC(/C=C\C(CC)=N\C)NC1=CC=CC(C(F)F)=CC1
InChIInChI=1S/C18H24F2N2/c1-4-7-16(13-12-15(5-2)21-3)22-17-9-6-8-14(10-11-17)18(19)20/h4,6-10,12-13,16,18,22H,5,11H2,1-3H3/b7-4?,13-12-,21-15+
InChIKeyNLLIAEYIJVAPFU-MLBIRNDZSA-N
XLogP4.59
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.40
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 5-(difluoromethyl)-N-[(5Z)-7-methyliminonona-2,5-dien-4-yl]cyclohepta-1,3,5-trien-1-amine 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

7-methyl-6-methylidene-N-propyl-3-(trifluoromethyl)azepin-4-amine
CID 118494002
(Z,4Z)-4-[6-[(2E,4E)-5-fluorohepta-2,4,6-trien-2-yl]-2-methylidene-3-pyridinylidene]but-2-en-1-amine
CID 121321882
N-[[2-fluoro-6-[(2E,5E)-7-methyl-6-(C-methyl-N-propan-2-ylcarbonimidoyl)octa-2,5,7-trien-2-yl]cyclohepta-1,3,6-trien-1-yl]methyl]cyclopropanamine
CID 126516316
(3Z)-3-N-(2,2-difluoroethyl)-2-N-[(2E)-3-ethenyl-2-prop-2-enimidoylhexa-2,4,5-trienyl]-2-N,5-dimethylhexa-3,5-diene-2,3-diamine
CID 130389633
(4E,5Z)-7-[5-(difluoromethyl)-4H-pyrazol-3-yl]-4-ethylidene-N-[(E)-hept-4-en-2-yn-4-yl]octa-5,7-dien-3-amine
CID 135280834
(2E)-N-[(4E)-5-[[(3E)-3,5-dimethylhexa-3,5-dien-2-ylidene]amino]-4-methylpenta-1,4-dien-2-yl]-2-ethenyl-4-fluoropenta-2,4-dien-1-amine
CID 137465231
(2E)-2-ethenyl-4-fluoro-N-[(4E)-4-methyl-5-[[(E)-3-methylpent-3-en-2-ylidene]amino]penta-1,4-dien-2-yl]penta-2,4-dien-1-amine
CID 137465238
(4E,6E)-N-[(2E)-2-ethenyl-4-fluoropenta-2,4-dienyl]-4,7-dimethyl-8-methyliminonona-1,4,6-trien-2-amine
CID 137465240
(2Z)-1-[5-(6-fluoro-2,3-dihydropyridin-5-yl)-3-methylpyrrol-2-ylidene]-N,3-dimethylpenta-2,4-dien-2-amine
CID 143253059
(Z)-5-[(7E,9Z)-7-(difluoromethyl)-8-methyl-1,2,3,4,5,6-hexahydro-1,5-diazecin-2-yl]-N-methylpent-3-en-2-imine
CID 164003780
N-[(3Z)-3-[C-(difluoromethyl)-N-methylcarbonimidoyl]-5-methylhexa-1,3,5-trien-2-yl]cyclohexanamine
CID 167055985
difluoromethane;(E)-4-[[(E)-2-methyl-3-(propylideneamino)-1-[4-(trifluoromethyl)benzene-6-id-1-yl]prop-2-enylidene]amino]-N-propylbut-2-en-2-amine;uranium(2+)
CID 167492539

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-N-[(5Z)-7-methyliminonona-2,5-dien-4-yl]cyclohepta-1,3,5-trien-1-amine?
The IUPAC name of 5-(difluoromethyl)-N-[(5Z)-7-methyliminonona-2,5-dien-4-yl]cyclohepta-1,3,5-trien-1-amine (CID 143431231) is 5-(difluoromethyl)-N-[(5Z)-7-methyliminonona-2,5-dien-4-yl]cyclohepta-1,3,5-trien-1-amine.
What is the SMILES notation for 5-(difluoromethyl)-N-[(5Z)-7-methyliminonona-2,5-dien-4-yl]cyclohepta-1,3,5-trien-1-amine?
The canonical SMILES for 5-(difluoromethyl)-N-[(5Z)-7-methyliminonona-2,5-dien-4-yl]cyclohepta-1,3,5-trien-1-amine is CC=CC(/C=C\C(CC)=N\C)NC1=CC=CC(C(F)F)=CC1.
What is the InChIKey of 5-(difluoromethyl)-N-[(5Z)-7-methyliminonona-2,5-dien-4-yl]cyclohepta-1,3,5-trien-1-amine?
The InChIKey is NLLIAEYIJVAPFU-MLBIRNDZSA-N. The full InChI is InChI=1S/C18H24F2N2/c1-4-7-16(13-12-15(5-2)21-3)22-17-9-6-8-14(10-11-17)18(19)20/h4,6-10,12-13,16,18,22H,5,11H2,1-3H3/b7-4?,13-12-,21-15+.
What are the key properties of 5-(difluoromethyl)-N-[(5Z)-7-methyliminonona-2,5-dien-4-yl]cyclohepta-1,3,5-trien-1-amine?
5-(difluoromethyl)-N-[(5Z)-7-methyliminonona-2,5-dien-4-yl]cyclohepta-1,3,5-trien-1-amine has a molecular weight of 306.40 g/mol, XLogP of 4.59, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-N-[(5Z)-7-methyliminonona-2,5-dien-4-yl]cyclohepta-1,3,5-trien-1-amine is sourced from PubChem (CID 143431231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).