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

C13H23N3 — CID 155705889

IUPAC(Z)-N'-cyclopentyl-2-[(E)-2-(dimethylamino)ethenyl]but-2-enimidamide
SMILESC/C=C(/C=C/N(C)C)C(\N)=N\C1CCCC1
InChIInChI=1S/C13H23N3/c1-4-11(9-10-16(2)3)13(14)15-12-7-5-6-8-12/h4,9-10,12H,5-8H2,1-3H3,(H2,14,15)/b10-9+,11-4-
InChIKeyQWRTVPOYODAXHL-QTJZFYPZSA-N
MW221.35 g/mol
LogP2.31
Rot. Bonds4

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

(Z)-N'-cyclopentyl-2-[(E)-2-(dimethylamino)ethenyl]but-2-enimidamide (PubChem CID 155705889) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is (Z)-N'-cyclopentyl-2-[(E)-2-(dimethylamino)ethenyl]but-2-enimidamide.

Molecular Properties

Compound Name(Z)-N'-cyclopentyl-2-[(E)-2-(dimethylamino)ethenyl]but-2-enimidamide
PubChem CID155705889
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name(Z)-N'-cyclopentyl-2-[(E)-2-(dimethylamino)ethenyl]but-2-enimidamide
SMILESC/C=C(/C=C/N(C)C)C(\N)=N\C1CCCC1
InChIInChI=1S/C13H23N3/c1-4-11(9-10-16(2)3)13(14)15-12-7-5-6-8-12/h4,9-10,12H,5-8H2,1-3H3,(H2,14,15)/b10-9+,11-4-
InChIKeyQWRTVPOYODAXHL-QTJZFYPZSA-N
XLogP2.31
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.31
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': '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?
The IUPAC name of (Z)-N'-cyclopentyl-2-[(E)-2-(dimethylamino)ethenyl]but-2-enimidamide (CID 155705889) is (Z)-N'-cyclopentyl-2-[(E)-2-(dimethylamino)ethenyl]but-2-enimidamide.
What is the SMILES notation for (Z)-N'-cyclopentyl-2-[(E)-2-(dimethylamino)ethenyl]but-2-enimidamide?
The canonical SMILES for (Z)-N'-cyclopentyl-2-[(E)-2-(dimethylamino)ethenyl]but-2-enimidamide is C/C=C(/C=C/N(C)C)C(\N)=N\C1CCCC1.
What is the InChIKey of (Z)-N'-cyclopentyl-2-[(E)-2-(dimethylamino)ethenyl]but-2-enimidamide?
The InChIKey is QWRTVPOYODAXHL-QTJZFYPZSA-N. The full InChI is InChI=1S/C13H23N3/c1-4-11(9-10-16(2)3)13(14)15-12-7-5-6-8-12/h4,9-10,12H,5-8H2,1-3H3,(H2,14,15)/b10-9+,11-4-.
What are the key properties of (Z)-N'-cyclopentyl-2-[(E)-2-(dimethylamino)ethenyl]but-2-enimidamide?
(Z)-N'-cyclopentyl-2-[(E)-2-(dimethylamino)ethenyl]but-2-enimidamide has a molecular weight of 221.35 g/mol, XLogP of 2.31, 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 is sourced from PubChem (CID 155705889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).