(Z)-N'-cyclopentyl-2-[(E)-2-(dimethylamino)ethenyl]but-2-enimidamide;ethene

C15H27N3 — CID 155705888

IUPAC(Z)-N'-cyclopentyl-2-[(E)-2-(dimethylamino)ethenyl]but-2-enimidamide;ethene
SMILESC/C=C(/C=C/N(C)C)C(\N)=N\C1CCCC1.C=C
InChIInChI=1S/C13H23N3.C2H4/c1-4-11(9-10-16(2)3)13(14)15-12-7-5-6-8-12;1-2/h4,9-10,12H,5-8H2,1-3H3,(H2,14,15);1-2H2/b10-9+,11-4-;
InChIKeyKNLZCUVOXKALFL-LJFNVFEDSA-N
MW249.40 g/mol
LogP3.11
Rot. Bonds4

About (Z)-N'-cyclopentyl-2-[(E)-2-(dimethylamino)ethenyl]but-2-enimidamide;ethene

(Z)-N'-cyclopentyl-2-[(E)-2-(dimethylamino)ethenyl]but-2-enimidamide;ethene (PubChem CID 155705888) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is (Z)-N'-cyclopentyl-2-[(E)-2-(dimethylamino)ethenyl]but-2-enimidamide;ethene.

Molecular Properties

Compound Name(Z)-N'-cyclopentyl-2-[(E)-2-(dimethylamino)ethenyl]but-2-enimidamide;ethene
PubChem CID155705888
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC Name(Z)-N'-cyclopentyl-2-[(E)-2-(dimethylamino)ethenyl]but-2-enimidamide;ethene
SMILESC/C=C(/C=C/N(C)C)C(\N)=N\C1CCCC1.C=C
InChIInChI=1S/C13H23N3.C2H4/c1-4-11(9-10-16(2)3)13(14)15-12-7-5-6-8-12;1-2/h4,9-10,12H,5-8H2,1-3H3,(H2,14,15);1-2H2/b10-9+,11-4-;
InChIKeyKNLZCUVOXKALFL-LJFNVFEDSA-N
XLogP3.11
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-N'-cyclopentyl-2-[(E)-2-(dimethylamino)ethenyl]but-2-enimidamide;ethene?
The IUPAC name of (Z)-N'-cyclopentyl-2-[(E)-2-(dimethylamino)ethenyl]but-2-enimidamide;ethene (CID 155705888) is (Z)-N'-cyclopentyl-2-[(E)-2-(dimethylamino)ethenyl]but-2-enimidamide;ethene.
What is the SMILES notation for (Z)-N'-cyclopentyl-2-[(E)-2-(dimethylamino)ethenyl]but-2-enimidamide;ethene?
The canonical SMILES for (Z)-N'-cyclopentyl-2-[(E)-2-(dimethylamino)ethenyl]but-2-enimidamide;ethene is C/C=C(/C=C/N(C)C)C(\N)=N\C1CCCC1.C=C.
What is the InChIKey of (Z)-N'-cyclopentyl-2-[(E)-2-(dimethylamino)ethenyl]but-2-enimidamide;ethene?
The InChIKey is KNLZCUVOXKALFL-LJFNVFEDSA-N. The full InChI is InChI=1S/C13H23N3.C2H4/c1-4-11(9-10-16(2)3)13(14)15-12-7-5-6-8-12;1-2/h4,9-10,12H,5-8H2,1-3H3,(H2,14,15);1-2H2/b10-9+,11-4-;.
What are the key properties of (Z)-N'-cyclopentyl-2-[(E)-2-(dimethylamino)ethenyl]but-2-enimidamide;ethene?
(Z)-N'-cyclopentyl-2-[(E)-2-(dimethylamino)ethenyl]but-2-enimidamide;ethene has a molecular weight of 249.40 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N'-cyclopentyl-2-[(E)-2-(dimethylamino)ethenyl]but-2-enimidamide;ethene is sourced from PubChem (CID 155705888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).