(3E)-3-methanimidoyl-N-methyl-5-methyliminopenta-1,3-dien-2-amine

C8H13N3 — CID 175630118

IUPAC(3E)-3-methanimidoyl-N-methyl-5-methyliminopenta-1,3-dien-2-amine
SMILES[H]/N=C/C(=C/C=N/C)C(=C)NC
InChIInChI=1S/C8H13N3/c1-7(11-3)8(6-9)4-5-10-2/h4-6,9,11H,1H2,2-3H3/b8-4-,9-6+,10-5+
InChIKeyMNMNQHZXKJWIME-OEYBFCHASA-N
MW151.21 g/mol
LogP1.00
Rot. Bonds4

About (3E)-3-methanimidoyl-N-methyl-5-methyliminopenta-1,3-dien-2-amine

(3E)-3-methanimidoyl-N-methyl-5-methyliminopenta-1,3-dien-2-amine (PubChem CID 175630118) has the molecular formula C8H13N3 and a molecular weight of 151.21 g/mol. Its IUPAC name is (3E)-3-methanimidoyl-N-methyl-5-methyliminopenta-1,3-dien-2-amine.

Molecular Properties

Compound Name(3E)-3-methanimidoyl-N-methyl-5-methyliminopenta-1,3-dien-2-amine
PubChem CID175630118
Molecular FormulaC8H13N3
Molecular Weight151.21 g/mol
Exact Mass151.11
IUPAC Name(3E)-3-methanimidoyl-N-methyl-5-methyliminopenta-1,3-dien-2-amine
SMILES[H]/N=C/C(=C/C=N/C)C(=C)NC
InChIInChI=1S/C8H13N3/c1-7(11-3)8(6-9)4-5-10-2/h4-6,9,11H,1H2,2-3H3/b8-4-,9-6+,10-5+
InChIKeyMNMNQHZXKJWIME-OEYBFCHASA-N
XLogP1.00
TPSA48.24 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3E)-3-methanimidoyl-N-methyl-5-methyliminopenta-1,3-dien-2-amine?
The IUPAC name of (3E)-3-methanimidoyl-N-methyl-5-methyliminopenta-1,3-dien-2-amine (CID 175630118) is (3E)-3-methanimidoyl-N-methyl-5-methyliminopenta-1,3-dien-2-amine.
What is the SMILES notation for (3E)-3-methanimidoyl-N-methyl-5-methyliminopenta-1,3-dien-2-amine?
The canonical SMILES for (3E)-3-methanimidoyl-N-methyl-5-methyliminopenta-1,3-dien-2-amine is [H]/N=C/C(=C/C=N/C)C(=C)NC.
What is the InChIKey of (3E)-3-methanimidoyl-N-methyl-5-methyliminopenta-1,3-dien-2-amine?
The InChIKey is MNMNQHZXKJWIME-OEYBFCHASA-N. The full InChI is InChI=1S/C8H13N3/c1-7(11-3)8(6-9)4-5-10-2/h4-6,9,11H,1H2,2-3H3/b8-4-,9-6+,10-5+.
What are the key properties of (3E)-3-methanimidoyl-N-methyl-5-methyliminopenta-1,3-dien-2-amine?
(3E)-3-methanimidoyl-N-methyl-5-methyliminopenta-1,3-dien-2-amine has a molecular weight of 151.21 g/mol, XLogP of 1.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-methanimidoyl-N-methyl-5-methyliminopenta-1,3-dien-2-amine is sourced from PubChem (CID 175630118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).