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

C6H10N2 — CID 89142453

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

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

(1Z,3Z)-3-methyl-4-(methylideneamino)buta-1,3-dien-1-amine (PubChem CID 89142453) has the molecular formula C6H10N2 and a molecular weight of 110.16 g/mol. Its IUPAC name is (1Z,3Z)-3-methyl-4-(methylideneamino)buta-1,3-dien-1-amine.

Molecular Properties

Compound Name(1Z,3Z)-3-methyl-4-(methylideneamino)buta-1,3-dien-1-amine
PubChem CID89142453
Molecular FormulaC6H10N2
Molecular Weight110.16 g/mol
Exact Mass110.08
IUPAC Name(1Z,3Z)-3-methyl-4-(methylideneamino)buta-1,3-dien-1-amine
SMILESC=N/C=C(C)\C=C/N
InChIInChI=1S/C6H10N2/c1-6(3-4-7)5-8-2/h3-5H,2,7H2,1H3/b4-3-,6-5-
InChIKeyLUPYJVIUSLAIKB-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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Related Compounds

1-Amino-3-methylbuta-1,3-diene
CID 57682486
(1Z,4E)-4-fluoro-N-methyl-3-methylidene-5-(methylideneamino)penta-1,4-dien-1-amine
CID 88880534
Guanidino-Isopren
CID 129646409
N-[(1Z)-3-methylidenepenta-1,4-dienyl]methanimine
CID 87164006
(Z)-2-(2-methylidenebutylideneamino)ethenamine
CID 88273445
N'-[(Z)-3-methylidenepent-1-enyl]methanimidamide
CID 88273618
N'-[(1Z)-2-methylbuta-1,3-dienyl]methanimidamide
CID 88931617
(Z,3Z)-3-[(methylideneamino)methylidene]pent-1-en-1-amine
CID 89033888
N-[(Z)-3-methylidenepent-1-enyl]methanimine
CID 89153681
(2E,4Z)-2-methyl-5-(methylideneamino)penta-2,4-dien-1-amine
CID 89335536
N'-[(1Z)-3-methylbuta-1,3-dienyl]methanimidamide
CID 89390396
(1Z,3Z)-2-methyl-4-(methylideneamino)buta-1,3-dien-1-amine
CID 90046074

Frequently Asked Questions

What is the IUPAC name of (1Z,3Z)-3-methyl-4-(methylideneamino)buta-1,3-dien-1-amine?
The IUPAC name of (1Z,3Z)-3-methyl-4-(methylideneamino)buta-1,3-dien-1-amine (CID 89142453) is (1Z,3Z)-3-methyl-4-(methylideneamino)buta-1,3-dien-1-amine.
What is the SMILES notation for (1Z,3Z)-3-methyl-4-(methylideneamino)buta-1,3-dien-1-amine?
The canonical SMILES for (1Z,3Z)-3-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)-3-methyl-4-(methylideneamino)buta-1,3-dien-1-amine?
The InChIKey is LUPYJVIUSLAIKB-OUPQRBNQSA-N. The full InChI is InChI=1S/C6H10N2/c1-6(3-4-7)5-8-2/h3-5H,2,7H2,1H3/b4-3-,6-5-.
What are the key properties of (1Z,3Z)-3-methyl-4-(methylideneamino)buta-1,3-dien-1-amine?
(1Z,3Z)-3-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)-3-methyl-4-(methylideneamino)buta-1,3-dien-1-amine is sourced from PubChem (CID 89142453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).