(1Z)-2-(methyliminomethyl)buta-1,3-dien-1-amine

C6H10N2 — CID 138479095

IUPAC(1Z)-2-(methyliminomethyl)buta-1,3-dien-1-amine
SMILESC=CC(=C/N)/C=N/C
InChIInChI=1S/C6H10N2/c1-3-6(4-7)5-8-2/h3-5H,1,7H2,2H3/b6-4-,8-5+
InChIKeyCQXBONAYKRHTOO-QXMOYCCXSA-N
MW110.16 g/mol
LogP0.72
Rot. Bonds2

About (1Z)-2-(methyliminomethyl)buta-1,3-dien-1-amine

(1Z)-2-(methyliminomethyl)buta-1,3-dien-1-amine (PubChem CID 138479095) has the molecular formula C6H10N2 and a molecular weight of 110.16 g/mol. Its IUPAC name is (1Z)-2-(methyliminomethyl)buta-1,3-dien-1-amine.

Molecular Properties

Compound Name(1Z)-2-(methyliminomethyl)buta-1,3-dien-1-amine
PubChem CID138479095
Molecular FormulaC6H10N2
Molecular Weight110.16 g/mol
Exact Mass110.08
IUPAC Name(1Z)-2-(methyliminomethyl)buta-1,3-dien-1-amine
SMILESC=CC(=C/N)/C=N/C
InChIInChI=1S/C6H10N2/c1-3-6(4-7)5-8-2/h3-5H,1,7H2,2H3/b6-4-,8-5+
InChIKeyCQXBONAYKRHTOO-QXMOYCCXSA-N
XLogP0.72
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 ≤ 50.72
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

(2E)-2-[(ethylideneamino)methylidene]-N-fluorobut-3-en-1-amine
CID 89520822
2-(Difluoromethyliminomethyl)buta-1,3-dien-1-amine
CID 173990662
(Z)-2-[(E)-[amino(fluoro)methyl]iminomethyl]but-1-en-1-amine
CID 155735348
4H-pyridin-3-ylidenemethanamine
CID 54165081
3H-pyridin-4-ylidenemethanamine
CID 70072770
(Z)-2-(2-methylprop-2-enylideneamino)ethenamine
CID 88251982
(Z)-2-(2-methylidenebutylideneamino)ethenamine
CID 88273445
(Z)-2-(methyliminomethyl)but-1-en-1-amine
CID 88563723
(Z)-3-ethenylimino-2-methylprop-1-en-1-amine
CID 88568702
(Z)-2-(ethenyliminomethyl)-3-methylbut-1-en-1-amine
CID 89002194
(Z,3Z)-3-[(methylideneamino)methylidene]pent-1-en-1-amine
CID 89033888
(Z)-N-methyl-2-(methyliminomethyl)but-1-en-1-amine
CID 89069717

Frequently Asked Questions

What is the IUPAC name of (1Z)-2-(methyliminomethyl)buta-1,3-dien-1-amine?
The IUPAC name of (1Z)-2-(methyliminomethyl)buta-1,3-dien-1-amine (CID 138479095) is (1Z)-2-(methyliminomethyl)buta-1,3-dien-1-amine.
What is the SMILES notation for (1Z)-2-(methyliminomethyl)buta-1,3-dien-1-amine?
The canonical SMILES for (1Z)-2-(methyliminomethyl)buta-1,3-dien-1-amine is C=CC(=C/N)/C=N/C.
What is the InChIKey of (1Z)-2-(methyliminomethyl)buta-1,3-dien-1-amine?
The InChIKey is CQXBONAYKRHTOO-QXMOYCCXSA-N. The full InChI is InChI=1S/C6H10N2/c1-3-6(4-7)5-8-2/h3-5H,1,7H2,2H3/b6-4-,8-5+.
What are the key properties of (1Z)-2-(methyliminomethyl)buta-1,3-dien-1-amine?
(1Z)-2-(methyliminomethyl)buta-1,3-dien-1-amine has a molecular weight of 110.16 g/mol, XLogP of 0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-2-(methyliminomethyl)buta-1,3-dien-1-amine is sourced from PubChem (CID 138479095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).