[(1Z)-2-methanimidoyl-3-methylbuta-1,3-dienyl]-propan-2-ylazanium

C9H17N2+ — CID 145192802

IUPAC[(1Z)-2-methanimidoyl-3-methylbuta-1,3-dienyl]-propan-2-ylazanium
SMILES[H]/N=C/C(=C\[NH2+]C(C)C)C(=C)C
InChIInChI=1S/C9H16N2/c1-7(2)9(5-10)6-11-8(3)4/h5-6,8,10-11H,1H2,2-4H3/p+1/b9-6+,10-5+
InChIKeyOEIVURIICFFKGQ-TXFIJWAUSA-O
MW153.25 g/mol
LogP1.07
Rot. Bonds4

About [(1Z)-2-methanimidoyl-3-methylbuta-1,3-dienyl]-propan-2-ylazanium

[(1Z)-2-methanimidoyl-3-methylbuta-1,3-dienyl]-propan-2-ylazanium (PubChem CID 145192802) has the molecular formula C9H17N2+ and a molecular weight of 153.25 g/mol. Its IUPAC name is [(1Z)-2-methanimidoyl-3-methylbuta-1,3-dienyl]-propan-2-ylazanium.

Molecular Properties

Compound Name[(1Z)-2-methanimidoyl-3-methylbuta-1,3-dienyl]-propan-2-ylazanium
PubChem CID145192802
Molecular FormulaC9H17N2+
Molecular Weight153.25 g/mol
Exact Mass153.14
IUPAC Name[(1Z)-2-methanimidoyl-3-methylbuta-1,3-dienyl]-propan-2-ylazanium
SMILES[H]/N=C/C(=C\[NH2+]C(C)C)C(=C)C
InChIInChI=1S/C9H16N2/c1-7(2)9(5-10)6-11-8(3)4/h5-6,8,10-11H,1H2,2-4H3/p+1/b9-6+,10-5+
InChIKeyOEIVURIICFFKGQ-TXFIJWAUSA-O
XLogP1.07
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.25
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-2-prop-1-en-2-ylbut-2-en-1-imine
CID 90933098
(E)-3,4-dimethyl-2-prop-1-en-2-ylpent-2-en-1-imine
CID 166998459
2-ethylidene-3-methylpent-3-en-1-imine
CID 123743137
(2E,4E)-3-methanimidoyl-6-methylhepta-2,4-dien-4-amine
CID 143255281
methanimine;2-methylprop-2-en-1-imine
CID 145055297
(4Z)-2,6-dimethylhepta-1,4-dien-3-imine
CID 123954860
(2Z)-2-ethylidenepent-4-ene-1,3-diimine
CID 123930405
[(Z)-3-imino-2-methylprop-1-enyl]-methylazanium
CID 145336360
(2Z)-2,3-di(ethylidene)hex-4-en-1-imine
CID 123621757
(2Z,4Z)-2-(1-methoxyethenyl)hexa-2,4-dien-1-imine
CID 134286835
4-methyl-2,3-dimethylidenehexan-1-imine
CID 170635680
3-prop-1-en-2-ylhexa-2,4-dien-1-imine
CID 123815278

Frequently Asked Questions

What is the IUPAC name of [(1Z)-2-methanimidoyl-3-methylbuta-1,3-dienyl]-propan-2-ylazanium?
The IUPAC name of [(1Z)-2-methanimidoyl-3-methylbuta-1,3-dienyl]-propan-2-ylazanium (CID 145192802) is [(1Z)-2-methanimidoyl-3-methylbuta-1,3-dienyl]-propan-2-ylazanium.
What is the SMILES notation for [(1Z)-2-methanimidoyl-3-methylbuta-1,3-dienyl]-propan-2-ylazanium?
The canonical SMILES for [(1Z)-2-methanimidoyl-3-methylbuta-1,3-dienyl]-propan-2-ylazanium is [H]/N=C/C(=C\[NH2+]C(C)C)C(=C)C.
What is the InChIKey of [(1Z)-2-methanimidoyl-3-methylbuta-1,3-dienyl]-propan-2-ylazanium?
The InChIKey is OEIVURIICFFKGQ-TXFIJWAUSA-O. The full InChI is InChI=1S/C9H16N2/c1-7(2)9(5-10)6-11-8(3)4/h5-6,8,10-11H,1H2,2-4H3/p+1/b9-6+,10-5+.
What are the key properties of [(1Z)-2-methanimidoyl-3-methylbuta-1,3-dienyl]-propan-2-ylazanium?
[(1Z)-2-methanimidoyl-3-methylbuta-1,3-dienyl]-propan-2-ylazanium has a molecular weight of 153.25 g/mol, XLogP of 1.07, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1Z)-2-methanimidoyl-3-methylbuta-1,3-dienyl]-propan-2-ylazanium is sourced from PubChem (CID 145192802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).