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

C6H10N2 — CID 168926495

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

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

(1E)-2-methyl-1-(methylideneamino)buta-1,3-dien-1-amine (PubChem CID 168926495) has the molecular formula C6H10N2 and a molecular weight of 110.16 g/mol. Its IUPAC name is (1E)-2-methyl-1-(methylideneamino)buta-1,3-dien-1-amine.

Molecular Properties

Compound Name(1E)-2-methyl-1-(methylideneamino)buta-1,3-dien-1-amine
PubChem CID168926495
Molecular FormulaC6H10N2
Molecular Weight110.16 g/mol
Exact Mass110.08
IUPAC Name(1E)-2-methyl-1-(methylideneamino)buta-1,3-dien-1-amine
SMILESC=C/C(C)=C(\N)N=C
InChIInChI=1S/C6H10N2/c1-4-5(2)6(7)8-3/h4H,1,3,7H2,2H3/b6-5+
InChIKeyYQIJWYFHBRZBIX-AATRIKPKSA-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

(1Z)-3-methyl-1-(methylideneamino)buta-1,3-dien-1-amine
CID 126571350
ethane;(1Z)-3-methyl-1-(methylideneamino)buta-1,3-dien-1-amine
CID 141903434
methane;(1Z)-3-methyl-1-(methylideneamino)buta-1,3-dien-1-amine
CID 142088782
ethane;(1Z)-2-methyl-1-(methylideneamino)buta-1,3-dien-1-amine
CID 142970722
(1Z)-2-methyl-1-(methylideneamino)buta-1,3-dien-1-amine
CID 142970723
(E)-2-ethenyl-1-(methylideneamino)prop-1-ene-1,3-diamine
CID 143501883
N'-[(1E)-1-amino-2-methylbuta-1,3-dienyl]-N-methylidenemethanimidamide
CID 144028917
(1Z)-3-methylidene-1-(methylideneamino)penta-1,4-dien-1-amine
CID 168181137
(1E)-2-methyl-1-(methylideneamino)buta-1,3-dien-1-amine;molecular hydrogen;propane
CID 168926494
(1Z)-1-(ethylideneamino)-2-methylbuta-1,3-dien-1-amine
CID 173955152
(1E)-1-(ethylideneamino)-2-methylbuta-1,3-dien-1-amine
CID 173985033
(1Z,3Z)-2-methyl-1-(methylideneamino)penta-1,3-dien-1-amine
CID 142933164

Frequently Asked Questions

What is the IUPAC name of (1E)-2-methyl-1-(methylideneamino)buta-1,3-dien-1-amine?
The IUPAC name of (1E)-2-methyl-1-(methylideneamino)buta-1,3-dien-1-amine (CID 168926495) is (1E)-2-methyl-1-(methylideneamino)buta-1,3-dien-1-amine.
What is the SMILES notation for (1E)-2-methyl-1-(methylideneamino)buta-1,3-dien-1-amine?
The canonical SMILES for (1E)-2-methyl-1-(methylideneamino)buta-1,3-dien-1-amine is C=C/C(C)=C(\N)N=C.
What is the InChIKey of (1E)-2-methyl-1-(methylideneamino)buta-1,3-dien-1-amine?
The InChIKey is YQIJWYFHBRZBIX-AATRIKPKSA-N. The full InChI is InChI=1S/C6H10N2/c1-4-5(2)6(7)8-3/h4H,1,3,7H2,2H3/b6-5+.
What are the key properties of (1E)-2-methyl-1-(methylideneamino)buta-1,3-dien-1-amine?
(1E)-2-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 (1E)-2-methyl-1-(methylideneamino)buta-1,3-dien-1-amine is sourced from PubChem (CID 168926495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).