(1Z,3Z)-2-methyl-4-(methylideneamino)buta-1,3-dien-1-amine

C6H10N2 — CID 90046074

IUPAC(1Z,3Z)-2-methyl-4-(methylideneamino)buta-1,3-dien-1-amine
SMILESC=N/C=C\C(C)=C/N
InChIInChI=1S/C6H10N2/c1-6(5-7)3-4-8-2/h3-5H,2,7H2,1H3/b4-3-,6-5-
InChIKeyKPVZEZVIGPFQLK-OUPQRBNQSA-N
MW110.16 g/mol
LogP1.06
Rot. Bonds2

About (1Z,3Z)-2-methyl-4-(methylideneamino)buta-1,3-dien-1-amine

(1Z,3Z)-2-methyl-4-(methylideneamino)buta-1,3-dien-1-amine (PubChem CID 90046074) has the molecular formula C6H10N2 and a molecular weight of 110.16 g/mol. Its IUPAC name is (1Z,3Z)-2-methyl-4-(methylideneamino)buta-1,3-dien-1-amine.

Molecular Properties

Compound Name(1Z,3Z)-2-methyl-4-(methylideneamino)buta-1,3-dien-1-amine
PubChem CID90046074
Molecular FormulaC6H10N2
Molecular Weight110.16 g/mol
Exact Mass110.08
IUPAC Name(1Z,3Z)-2-methyl-4-(methylideneamino)buta-1,3-dien-1-amine
SMILESC=N/C=C\C(C)=C/N
InChIInChI=1S/C6H10N2/c1-6(5-7)3-4-8-2/h3-5H,2,7H2,1H3/b4-3-,6-5-
InChIKeyKPVZEZVIGPFQLK-OUPQRBNQSA-N
XLogP1.06
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 (1Z,3Z)-2-methyl-4-(methylideneamino)buta-1,3-dien-1-amine?
The IUPAC name of (1Z,3Z)-2-methyl-4-(methylideneamino)buta-1,3-dien-1-amine (CID 90046074) is (1Z,3Z)-2-methyl-4-(methylideneamino)buta-1,3-dien-1-amine.
What is the SMILES notation for (1Z,3Z)-2-methyl-4-(methylideneamino)buta-1,3-dien-1-amine?
The canonical SMILES for (1Z,3Z)-2-methyl-4-(methylideneamino)buta-1,3-dien-1-amine is C=N/C=C\C(C)=C/N.
What is the InChIKey of (1Z,3Z)-2-methyl-4-(methylideneamino)buta-1,3-dien-1-amine?
The InChIKey is KPVZEZVIGPFQLK-OUPQRBNQSA-N. The full InChI is InChI=1S/C6H10N2/c1-6(5-7)3-4-8-2/h3-5H,2,7H2,1H3/b4-3-,6-5-.
What are the key properties of (1Z,3Z)-2-methyl-4-(methylideneamino)buta-1,3-dien-1-amine?
(1Z,3Z)-2-methyl-4-(methylideneamino)buta-1,3-dien-1-amine has a molecular weight of 110.16 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3Z)-2-methyl-4-(methylideneamino)buta-1,3-dien-1-amine is sourced from PubChem (CID 90046074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).