(1Z)-4-methyl-3-methyliminopenta-1,4-dien-1-amine

C7H12N2 — CID 146651387

IUPAC(1Z)-4-methyl-3-methyliminopenta-1,4-dien-1-amine
SMILESC=C(C)C(/C=C\N)=N\C
InChIInChI=1S/C7H12N2/c1-6(2)7(9-3)4-5-8/h4-5H,1,8H2,2-3H3/b5-4-,9-7-
InChIKeyQWNYENAMCCODPF-PHSHQRSZSA-N
MW124.19 g/mol
LogP1.11
Rot. Bonds2

About (1Z)-4-methyl-3-methyliminopenta-1,4-dien-1-amine

(1Z)-4-methyl-3-methyliminopenta-1,4-dien-1-amine (PubChem CID 146651387) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is (1Z)-4-methyl-3-methyliminopenta-1,4-dien-1-amine.

Molecular Properties

Compound Name(1Z)-4-methyl-3-methyliminopenta-1,4-dien-1-amine
PubChem CID146651387
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name(1Z)-4-methyl-3-methyliminopenta-1,4-dien-1-amine
SMILESC=C(C)C(/C=C\N)=N\C
InChIInChI=1S/C7H12N2/c1-6(2)7(9-3)4-5-8/h4-5H,1,8H2,2-3H3/b5-4-,9-7-
InChIKeyQWNYENAMCCODPF-PHSHQRSZSA-N
XLogP1.11
TPSA38.38 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 ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1Z)-4-methyl-3-methyliminopenta-1,4-dien-1-amine?
The IUPAC name of (1Z)-4-methyl-3-methyliminopenta-1,4-dien-1-amine (CID 146651387) is (1Z)-4-methyl-3-methyliminopenta-1,4-dien-1-amine.
What is the SMILES notation for (1Z)-4-methyl-3-methyliminopenta-1,4-dien-1-amine?
The canonical SMILES for (1Z)-4-methyl-3-methyliminopenta-1,4-dien-1-amine is C=C(C)C(/C=C\N)=N\C.
What is the InChIKey of (1Z)-4-methyl-3-methyliminopenta-1,4-dien-1-amine?
The InChIKey is QWNYENAMCCODPF-PHSHQRSZSA-N. The full InChI is InChI=1S/C7H12N2/c1-6(2)7(9-3)4-5-8/h4-5H,1,8H2,2-3H3/b5-4-,9-7-.
What are the key properties of (1Z)-4-methyl-3-methyliminopenta-1,4-dien-1-amine?
(1Z)-4-methyl-3-methyliminopenta-1,4-dien-1-amine has a molecular weight of 124.19 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-4-methyl-3-methyliminopenta-1,4-dien-1-amine is sourced from PubChem (CID 146651387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).