(Z)-4-N-ethylidene-2-N-[(Z)-4-methylpent-2-en-3-yl]but-3-ene-2,4-diimine

C12H20N2 — CID 156793413

IUPAC(Z)-4-N-ethylidene-2-N-[(Z)-4-methylpent-2-en-3-yl]but-3-ene-2,4-diimine
SMILESC/C=C(\N=C(C)\C=C/N=C/C)C(C)C
InChIInChI=1S/C12H20N2/c1-6-12(10(3)4)14-11(5)8-9-13-7-2/h6-10H,1-5H3/b9-8-,12-6-,13-7+,14-11+
InChIKeyYBECWXFGXWPWFC-INBJJSLDSA-N
MW192.31 g/mol
LogP3.61
Rot. Bonds4

About (Z)-4-N-ethylidene-2-N-[(Z)-4-methylpent-2-en-3-yl]but-3-ene-2,4-diimine

(Z)-4-N-ethylidene-2-N-[(Z)-4-methylpent-2-en-3-yl]but-3-ene-2,4-diimine (PubChem CID 156793413) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is (Z)-4-N-ethylidene-2-N-[(Z)-4-methylpent-2-en-3-yl]but-3-ene-2,4-diimine.

Molecular Properties

Compound Name(Z)-4-N-ethylidene-2-N-[(Z)-4-methylpent-2-en-3-yl]but-3-ene-2,4-diimine
PubChem CID156793413
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name(Z)-4-N-ethylidene-2-N-[(Z)-4-methylpent-2-en-3-yl]but-3-ene-2,4-diimine
SMILESC/C=C(\N=C(C)\C=C/N=C/C)C(C)C
InChIInChI=1S/C12H20N2/c1-6-12(10(3)4)14-11(5)8-9-13-7-2/h6-10H,1-5H3/b9-8-,12-6-,13-7+,14-11+
InChIKeyYBECWXFGXWPWFC-INBJJSLDSA-N
XLogP3.61
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (Z)-4-N-ethylidene-2-N-[(Z)-4-methylpent-2-en-3-yl]but-3-ene-2,4-diimine with MolForge

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Related Compounds

(Z)-4-[(Z)-4-methylpent-2-en-3-yl]iminopent-2-en-2-amine
CID 130331601
ethane;N-[(1Z,3Z)-3-methylpenta-1,3-dienyl]ethanimine
CID 142064369
(3Z)-4-(ethylideneamino)-N-propan-2-ylbuta-1,3-dien-2-amine
CID 143487310
(3Z)-4-(ethylideneamino)buta-1,3-dien-2-ol
CID 143328048
N-[(1Z,3Z)-3-methylhexa-1,3-dienyl]ethanimine
CID 88906035
N-(3-chlorobuta-1,3-dienyl)ethanimine
CID 123742417
4-(ethylideneamino)-N,N-dimethylbuta-1,3-dien-2-amine
CID 123366460
N-[(Z)-prop-1-enyl]ethanimine
CID 59954783
N-[(Z)-3-bromobut-1-enyl]ethanimine
CID 126690442
N-[(Z)-4-iodopent-2-en-3-yl]but-3-en-2-imine
CID 139359343
[(3Z)-4-(ethylideneamino)buta-1,3-dien-2-yl] propanoate
CID 167131411
(E)-4,5-dimethyl-N-prop-1-en-2-ylhex-3-en-2-imine
CID 134604866

Frequently Asked Questions

What is the IUPAC name of (Z)-4-N-ethylidene-2-N-[(Z)-4-methylpent-2-en-3-yl]but-3-ene-2,4-diimine?
The IUPAC name of (Z)-4-N-ethylidene-2-N-[(Z)-4-methylpent-2-en-3-yl]but-3-ene-2,4-diimine (CID 156793413) is (Z)-4-N-ethylidene-2-N-[(Z)-4-methylpent-2-en-3-yl]but-3-ene-2,4-diimine.
What is the SMILES notation for (Z)-4-N-ethylidene-2-N-[(Z)-4-methylpent-2-en-3-yl]but-3-ene-2,4-diimine?
The canonical SMILES for (Z)-4-N-ethylidene-2-N-[(Z)-4-methylpent-2-en-3-yl]but-3-ene-2,4-diimine is C/C=C(\N=C(C)\C=C/N=C/C)C(C)C.
What is the InChIKey of (Z)-4-N-ethylidene-2-N-[(Z)-4-methylpent-2-en-3-yl]but-3-ene-2,4-diimine?
The InChIKey is YBECWXFGXWPWFC-INBJJSLDSA-N. The full InChI is InChI=1S/C12H20N2/c1-6-12(10(3)4)14-11(5)8-9-13-7-2/h6-10H,1-5H3/b9-8-,12-6-,13-7+,14-11+.
What are the key properties of (Z)-4-N-ethylidene-2-N-[(Z)-4-methylpent-2-en-3-yl]but-3-ene-2,4-diimine?
(Z)-4-N-ethylidene-2-N-[(Z)-4-methylpent-2-en-3-yl]but-3-ene-2,4-diimine has a molecular weight of 192.31 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-N-ethylidene-2-N-[(Z)-4-methylpent-2-en-3-yl]but-3-ene-2,4-diimine is sourced from PubChem (CID 156793413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).