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

C6H10N2 — CID 142885975

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

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

(1E)-3-methyl-1-(methylideneamino)buta-1,3-dien-2-amine (PubChem CID 142885975) has the molecular formula C6H10N2 and a molecular weight of 110.16 g/mol. Its IUPAC name is (1E)-3-methyl-1-(methylideneamino)buta-1,3-dien-2-amine.

Molecular Properties

Compound Name(1E)-3-methyl-1-(methylideneamino)buta-1,3-dien-2-amine
PubChem CID142885975
Molecular FormulaC6H10N2
Molecular Weight110.16 g/mol
Exact Mass110.08
IUPAC Name(1E)-3-methyl-1-(methylideneamino)buta-1,3-dien-2-amine
SMILESC=N/C=C(/N)C(=C)C
InChIInChI=1S/C6H10N2/c1-5(2)6(7)4-8-3/h4H,1,3,7H2,2H3/b6-4+
InChIKeyRTMUCGPMCHHUHX-GQCTYLIASA-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

N-(3-methylbuta-1,3-dien-2-yl)methanimine
CID 58825943
3-Methylidene-4-(methylideneamino)penta-1,4-dien-2-amine
CID 88611094
N'-(3-methylbuta-1,3-dien-2-yl)methanimidamide
CID 123139579
N-[(1E)-3-(ethylideneamino)-2-methylbuta-1,3-dienyl]ethanimine
CID 123815893
(2Z,4E)-3-methyl-5-(methylideneamino)penta-2,4-diene-1,4-diamine
CID 129194053
(1E,3Z)-3-methylbuta-1,3-diene-1,2,4-triamine
CID 137384150
(Z)-1-(methylideneamino)but-1-en-2-amine
CID 142107280
(1Z)-3-methylbuta-1,3-diene-1,2-diamine
CID 142610484
ethane;(1E)-3-methyl-1-(methylideneamino)buta-1,3-dien-2-amine
CID 143149332
(3E)-N,3-dimethyl-4-(methylideneamino)buta-1,3-dien-2-amine
CID 143283347
(1Z)-3-methyl-2-(methylideneamino)buta-1,3-dien-1-amine
CID 144211799
(1E)-3-methyl-1-(propan-2-ylideneamino)buta-1,3-dien-2-amine
CID 144211940

Frequently Asked Questions

What is the IUPAC name of (1E)-3-methyl-1-(methylideneamino)buta-1,3-dien-2-amine?
The IUPAC name of (1E)-3-methyl-1-(methylideneamino)buta-1,3-dien-2-amine (CID 142885975) is (1E)-3-methyl-1-(methylideneamino)buta-1,3-dien-2-amine.
What is the SMILES notation for (1E)-3-methyl-1-(methylideneamino)buta-1,3-dien-2-amine?
The canonical SMILES for (1E)-3-methyl-1-(methylideneamino)buta-1,3-dien-2-amine is C=N/C=C(/N)C(=C)C.
What is the InChIKey of (1E)-3-methyl-1-(methylideneamino)buta-1,3-dien-2-amine?
The InChIKey is RTMUCGPMCHHUHX-GQCTYLIASA-N. The full InChI is InChI=1S/C6H10N2/c1-5(2)6(7)4-8-3/h4H,1,3,7H2,2H3/b6-4+.
What are the key properties of (1E)-3-methyl-1-(methylideneamino)buta-1,3-dien-2-amine?
(1E)-3-methyl-1-(methylideneamino)buta-1,3-dien-2-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)-3-methyl-1-(methylideneamino)buta-1,3-dien-2-amine is sourced from PubChem (CID 142885975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).