1-N'-[(1E,3Z)-3-(difluoromethyl)-2-methyl-1-(2-methylcyclopenten-1-yl)penta-1,3-dienyl]ethene-1,1-diamine

C15H22F2N2 — CID 170002546

IUPAC1-N'-[(1E,3Z)-3-(difluoromethyl)-2-methyl-1-(2-methylcyclopenten-1-yl)penta-1,3-dienyl]ethene-1,1-diamine
SMILESC=C(N)N/C(C1=C(C)CCC1)=C(C)/C(=C/C)C(F)F
InChIInChI=1S/C15H22F2N2/c1-5-12(15(16)17)10(3)14(19-11(4)18)13-8-6-7-9(13)2/h5,15,19H,4,6-8,18H2,1-3H3/b12-5-,14-10+
InChIKeyBVQTUSSXXUFXPY-IVNBMTEESA-N
MW268.35 g/mol
LogP3.99
Rot. Bonds5

About 1-N'-[(1E,3Z)-3-(difluoromethyl)-2-methyl-1-(2-methylcyclopenten-1-yl)penta-1,3-dienyl]ethene-1,1-diamine

1-N'-[(1E,3Z)-3-(difluoromethyl)-2-methyl-1-(2-methylcyclopenten-1-yl)penta-1,3-dienyl]ethene-1,1-diamine (PubChem CID 170002546) has the molecular formula C15H22F2N2 and a molecular weight of 268.35 g/mol. Its IUPAC name is 1-N'-[(1E,3Z)-3-(difluoromethyl)-2-methyl-1-(2-methylcyclopenten-1-yl)penta-1,3-dienyl]ethene-1,1-diamine.

Molecular Properties

Compound Name1-N'-[(1E,3Z)-3-(difluoromethyl)-2-methyl-1-(2-methylcyclopenten-1-yl)penta-1,3-dienyl]ethene-1,1-diamine
PubChem CID170002546
Molecular FormulaC15H22F2N2
Molecular Weight268.35 g/mol
Exact Mass268.18
IUPAC Name1-N'-[(1E,3Z)-3-(difluoromethyl)-2-methyl-1-(2-methylcyclopenten-1-yl)penta-1,3-dienyl]ethene-1,1-diamine
SMILESC=C(N)N/C(C1=C(C)CCC1)=C(C)/C(=C/C)C(F)F
InChIInChI=1S/C15H22F2N2/c1-5-12(15(16)17)10(3)14(19-11(4)18)13-8-6-7-9(13)2/h5,15,19H,4,6-8,18H2,1-3H3/b12-5-,14-10+
InChIKeyBVQTUSSXXUFXPY-IVNBMTEESA-N
XLogP3.99
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-N'-[(1E,3Z)-3-(difluoromethyl)-2-methyl-1-(2-methylcyclopenten-1-yl)penta-1,3-dienyl]ethene-1,1-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-N'-[(1E,3Z)-3-(difluoromethyl)-2-methyl-1-(2-methylcyclopenten-1-yl)penta-1,3-dienyl]ethene-1,1-diamine?
The IUPAC name of 1-N'-[(1E,3Z)-3-(difluoromethyl)-2-methyl-1-(2-methylcyclopenten-1-yl)penta-1,3-dienyl]ethene-1,1-diamine (CID 170002546) is 1-N'-[(1E,3Z)-3-(difluoromethyl)-2-methyl-1-(2-methylcyclopenten-1-yl)penta-1,3-dienyl]ethene-1,1-diamine.
What is the SMILES notation for 1-N'-[(1E,3Z)-3-(difluoromethyl)-2-methyl-1-(2-methylcyclopenten-1-yl)penta-1,3-dienyl]ethene-1,1-diamine?
The canonical SMILES for 1-N'-[(1E,3Z)-3-(difluoromethyl)-2-methyl-1-(2-methylcyclopenten-1-yl)penta-1,3-dienyl]ethene-1,1-diamine is C=C(N)N/C(C1=C(C)CCC1)=C(C)/C(=C/C)C(F)F.
What is the InChIKey of 1-N'-[(1E,3Z)-3-(difluoromethyl)-2-methyl-1-(2-methylcyclopenten-1-yl)penta-1,3-dienyl]ethene-1,1-diamine?
The InChIKey is BVQTUSSXXUFXPY-IVNBMTEESA-N. The full InChI is InChI=1S/C15H22F2N2/c1-5-12(15(16)17)10(3)14(19-11(4)18)13-8-6-7-9(13)2/h5,15,19H,4,6-8,18H2,1-3H3/b12-5-,14-10+.
What are the key properties of 1-N'-[(1E,3Z)-3-(difluoromethyl)-2-methyl-1-(2-methylcyclopenten-1-yl)penta-1,3-dienyl]ethene-1,1-diamine?
1-N'-[(1E,3Z)-3-(difluoromethyl)-2-methyl-1-(2-methylcyclopenten-1-yl)penta-1,3-dienyl]ethene-1,1-diamine has a molecular weight of 268.35 g/mol, XLogP of 3.99, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-[(1E,3Z)-3-(difluoromethyl)-2-methyl-1-(2-methylcyclopenten-1-yl)penta-1,3-dienyl]ethene-1,1-diamine is sourced from PubChem (CID 170002546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).