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

C6H10N2 — CID 126571350

IUPAC(1Z)-3-methyl-1-(methylideneamino)buta-1,3-dien-1-amine
SMILESC=N/C(N)=C\C(=C)C
InChIInChI=1S/C6H10N2/c1-5(2)4-6(7)8-3/h4H,1,3,7H2,2H3/b6-4-
InChIKeyNHBBKXFWEUGJGO-XQRVVYSFSA-N
MW110.16 g/mol
LogP1.06
Rot. Bonds2

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

(1Z)-3-methyl-1-(methylideneamino)buta-1,3-dien-1-amine (PubChem CID 126571350) has the molecular formula C6H10N2 and a molecular weight of 110.16 g/mol. Its IUPAC name is (1Z)-3-methyl-1-(methylideneamino)buta-1,3-dien-1-amine.

Molecular Properties

Compound Name(1Z)-3-methyl-1-(methylideneamino)buta-1,3-dien-1-amine
PubChem CID126571350
Molecular FormulaC6H10N2
Molecular Weight110.16 g/mol
Exact Mass110.08
IUPAC Name(1Z)-3-methyl-1-(methylideneamino)buta-1,3-dien-1-amine
SMILESC=N/C(N)=C\C(=C)C
InChIInChI=1S/C6H10N2/c1-5(2)4-6(7)8-3/h4H,1,3,7H2,2H3/b6-4-
InChIKeyNHBBKXFWEUGJGO-XQRVVYSFSA-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)-3-methyl-1-(methylideneamino)buta-1,3-dien-1-amine?
The IUPAC name of (1Z)-3-methyl-1-(methylideneamino)buta-1,3-dien-1-amine (CID 126571350) is (1Z)-3-methyl-1-(methylideneamino)buta-1,3-dien-1-amine.
What is the SMILES notation for (1Z)-3-methyl-1-(methylideneamino)buta-1,3-dien-1-amine?
The canonical SMILES for (1Z)-3-methyl-1-(methylideneamino)buta-1,3-dien-1-amine is C=N/C(N)=C\C(=C)C.
What is the InChIKey of (1Z)-3-methyl-1-(methylideneamino)buta-1,3-dien-1-amine?
The InChIKey is NHBBKXFWEUGJGO-XQRVVYSFSA-N. The full InChI is InChI=1S/C6H10N2/c1-5(2)4-6(7)8-3/h4H,1,3,7H2,2H3/b6-4-.
What are the key properties of (1Z)-3-methyl-1-(methylideneamino)buta-1,3-dien-1-amine?
(1Z)-3-methyl-1-(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)-3-methyl-1-(methylideneamino)buta-1,3-dien-1-amine is sourced from PubChem (CID 126571350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).