(Z)-4-N-propan-2-ylidenebut-3-ene-2,4-diimine

C7H12N2 — CID 130413517

IUPAC(Z)-4-N-propan-2-ylidenebut-3-ene-2,4-diimine
SMILES[H]/N=C(C)/C=C\N=C(C)C
InChIInChI=1S/C7H12N2/c1-6(2)9-5-4-7(3)8/h4-5,8H,1-3H3/b5-4-,8-7+
InChIKeyDYUZETNDRKULFD-KXKKYDSASA-N
MW124.19 g/mol
LogP2.02
Rot. Bonds2

About (Z)-4-N-propan-2-ylidenebut-3-ene-2,4-diimine

(Z)-4-N-propan-2-ylidenebut-3-ene-2,4-diimine (PubChem CID 130413517) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is (Z)-4-N-propan-2-ylidenebut-3-ene-2,4-diimine.

Molecular Properties

Compound Name(Z)-4-N-propan-2-ylidenebut-3-ene-2,4-diimine
PubChem CID130413517
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name(Z)-4-N-propan-2-ylidenebut-3-ene-2,4-diimine
SMILES[H]/N=C(C)/C=C\N=C(C)C
InChIInChI=1S/C7H12N2/c1-6(2)9-5-4-7(3)8/h4-5,8H,1-3H3/b5-4-,8-7+
InChIKeyDYUZETNDRKULFD-KXKKYDSASA-N
XLogP2.02
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-4-imino-N-methylpent-2-en-1-amine
CID 145282389
(Z)-2-N-ethenylhept-4-ene-2,3,6-triimine
CID 143616909
(Z)-4-(imino-λ3-iodanyl)but-3-en-2-imine
CID 146788075
(Z)-4-iminopent-2-en-1-amine
CID 142289238
(3Z,5E)-5-bromohepta-3,5-dien-2-imine
CID 156548743
(Z)-2-(propan-2-ylideneamino)ethenol
CID 144930691
(Z)-hept-3-ene-2,5-diimine
CID 143456495
(Z,5E)-5-ethylidenehept-3-ene-2,6-diimine
CID 123707511
(Z)-N-[(Z)-[(Z)-4-iminopent-2-enylidene]amino]-2-iodoethenamine
CID 88530905
(Z)-N-methyl-3-(propan-2-ylideneamino)prop-2-en-1-amine
CID 167287780
(Z)-5-methoxyhex-3-en-2-imine
CID 123705474
(E)-4-imino-2-methylpent-2-enenitrile
CID 145089299

Frequently Asked Questions

What is the IUPAC name of (Z)-4-N-propan-2-ylidenebut-3-ene-2,4-diimine?
The IUPAC name of (Z)-4-N-propan-2-ylidenebut-3-ene-2,4-diimine (CID 130413517) is (Z)-4-N-propan-2-ylidenebut-3-ene-2,4-diimine.
What is the SMILES notation for (Z)-4-N-propan-2-ylidenebut-3-ene-2,4-diimine?
The canonical SMILES for (Z)-4-N-propan-2-ylidenebut-3-ene-2,4-diimine is [H]/N=C(C)/C=C\N=C(C)C.
What is the InChIKey of (Z)-4-N-propan-2-ylidenebut-3-ene-2,4-diimine?
The InChIKey is DYUZETNDRKULFD-KXKKYDSASA-N. The full InChI is InChI=1S/C7H12N2/c1-6(2)9-5-4-7(3)8/h4-5,8H,1-3H3/b5-4-,8-7+.
What are the key properties of (Z)-4-N-propan-2-ylidenebut-3-ene-2,4-diimine?
(Z)-4-N-propan-2-ylidenebut-3-ene-2,4-diimine has a molecular weight of 124.19 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-N-propan-2-ylidenebut-3-ene-2,4-diimine is sourced from PubChem (CID 130413517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).