(3-imino-4-methylpent-4-en-2-ylidene)azanium

C6H11N2+ — CID 142085215

IUPAC(3-imino-4-methylpent-4-en-2-ylidene)azanium
SMILES[H]/N=C(\C(=C)C)C(C)=[NH2+]
InChIInChI=1S/C6H10N2/c1-4(2)6(8)5(3)7/h7-8H,1H2,2-3H3/p+1/b7-5?,8-6+
InChIKeyDMYVYAAGGFUNOI-LERWJUDQSA-O
MW111.17 g/mol
LogP-0.20
Rot. Bonds2

About (3-imino-4-methylpent-4-en-2-ylidene)azanium

(3-imino-4-methylpent-4-en-2-ylidene)azanium (PubChem CID 142085215) has the molecular formula C6H11N2+ and a molecular weight of 111.17 g/mol. Its IUPAC name is (3-imino-4-methylpent-4-en-2-ylidene)azanium.

Molecular Properties

Compound Name(3-imino-4-methylpent-4-en-2-ylidene)azanium
PubChem CID142085215
Molecular FormulaC6H11N2+
Molecular Weight111.17 g/mol
Exact Mass111.09
IUPAC Name(3-imino-4-methylpent-4-en-2-ylidene)azanium
SMILES[H]/N=C(\C(=C)C)C(C)=[NH2+]
InChIInChI=1S/C6H10N2/c1-4(2)6(8)5(3)7/h7-8H,1H2,2-3H3/p+1/b7-5?,8-6+
InChIKeyDMYVYAAGGFUNOI-LERWJUDQSA-O
XLogP-0.20
TPSA49.44 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.17
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

Hex-1-ene-3,4-diimine
CID 123827973
1-Fluoro-3-methylbut-3-en-2-imine
CID 89411952
4-Fluoro-3-methylidenepentan-2-imine
CID 126481383
4-Methylpent-4-en-2-imine
CID 18713791
3-Methylbut-3-en-2-imine
CID 20732293
4-Methylidenecyclohexane-1,2-diimine
CID 57008475
(Z)-3-methylbut-3-en-2-ylidenehydrazine
CID 58175980
CID 58318985
CID 58318985
3-Methylbut-3-en-2-ylidenehydrazine
CID 76715077
2,4-Dimethylpent-1-en-3-imine
CID 91148130
5-Methylhex-5-en-2-imine
CID 91223574
3-Methylidenepentan-2-imine
CID 91240774

Frequently Asked Questions

What is the IUPAC name of (3-imino-4-methylpent-4-en-2-ylidene)azanium?
The IUPAC name of (3-imino-4-methylpent-4-en-2-ylidene)azanium (CID 142085215) is (3-imino-4-methylpent-4-en-2-ylidene)azanium.
What is the SMILES notation for (3-imino-4-methylpent-4-en-2-ylidene)azanium?
The canonical SMILES for (3-imino-4-methylpent-4-en-2-ylidene)azanium is [H]/N=C(\C(=C)C)C(C)=[NH2+].
What is the InChIKey of (3-imino-4-methylpent-4-en-2-ylidene)azanium?
The InChIKey is DMYVYAAGGFUNOI-LERWJUDQSA-O. The full InChI is InChI=1S/C6H10N2/c1-4(2)6(8)5(3)7/h7-8H,1H2,2-3H3/p+1/b7-5?,8-6+.
What are the key properties of (3-imino-4-methylpent-4-en-2-ylidene)azanium?
(3-imino-4-methylpent-4-en-2-ylidene)azanium has a molecular weight of 111.17 g/mol, XLogP of -0.20, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-imino-4-methylpent-4-en-2-ylidene)azanium is sourced from PubChem (CID 142085215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).