(3E)-N,3-dimethyl-4-(methylideneamino)buta-1,3-dien-2-amine

C7H12N2 — CID 143283347

IUPAC(3E)-N,3-dimethyl-4-(methylideneamino)buta-1,3-dien-2-amine
SMILESC=N/C=C(\C)C(=C)NC
InChIInChI=1S/C7H12N2/c1-6(5-8-3)7(2)9-4/h5,9H,2-3H2,1,4H3/b6-5+
InChIKeyWVTOYBQMPLWHQI-AATRIKPKSA-N
MW124.19 g/mol
LogP1.32
Rot. Bonds3

About (3E)-N,3-dimethyl-4-(methylideneamino)buta-1,3-dien-2-amine

(3E)-N,3-dimethyl-4-(methylideneamino)buta-1,3-dien-2-amine (PubChem CID 143283347) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is (3E)-N,3-dimethyl-4-(methylideneamino)buta-1,3-dien-2-amine.

Molecular Properties

Compound Name(3E)-N,3-dimethyl-4-(methylideneamino)buta-1,3-dien-2-amine
PubChem CID143283347
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name(3E)-N,3-dimethyl-4-(methylideneamino)buta-1,3-dien-2-amine
SMILESC=N/C=C(\C)C(=C)NC
InChIInChI=1S/C7H12N2/c1-6(5-8-3)7(2)9-4/h5,9H,2-3H2,1,4H3/b6-5+
InChIKeyWVTOYBQMPLWHQI-AATRIKPKSA-N
XLogP1.32
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 51.32
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

5-Methyl-4-methylene-1,4-dihydropyrimidine
CID 45080169
(Z)-N-methyl-2-(methylideneamino)but-1-en-1-amine
CID 88929926
(Z)-N-methyl-1-(methylideneamino)but-1-en-2-amine
CID 118048875
(Z)-N,3-dimethyl-1-(methylideneamino)but-1-en-2-amine
CID 137431450
(Z)-N,3-dimethyl-2-(methylideneamino)but-1-en-1-amine
CID 138626524
(Z)-N,2-dimethyl-3-(methylideneamino)prop-2-en-1-amine
CID 139514431
3-N-methyl-2-methylidenebut-3-ene-1,3-diamine
CID 141923370
(2E)-N-methyl-2-[(methylideneamino)methylidene]but-3-en-1-amine
CID 142154774
(1E)-3-methyl-1-(methylideneamino)buta-1,3-dien-2-amine
CID 142885975
(1E,3Z)-3-ethenyl-2-N-methylbuta-1,3-diene-1,2,4-triamine
CID 143058861
ethane;(1E)-3-methyl-1-(methylideneamino)buta-1,3-dien-2-amine
CID 143149332
(1E)-1-N,2-dimethylbuta-1,3-diene-1,3-diamine
CID 143280544

Frequently Asked Questions

What is the IUPAC name of (3E)-N,3-dimethyl-4-(methylideneamino)buta-1,3-dien-2-amine?
The IUPAC name of (3E)-N,3-dimethyl-4-(methylideneamino)buta-1,3-dien-2-amine (CID 143283347) is (3E)-N,3-dimethyl-4-(methylideneamino)buta-1,3-dien-2-amine.
What is the SMILES notation for (3E)-N,3-dimethyl-4-(methylideneamino)buta-1,3-dien-2-amine?
The canonical SMILES for (3E)-N,3-dimethyl-4-(methylideneamino)buta-1,3-dien-2-amine is C=N/C=C(\C)C(=C)NC.
What is the InChIKey of (3E)-N,3-dimethyl-4-(methylideneamino)buta-1,3-dien-2-amine?
The InChIKey is WVTOYBQMPLWHQI-AATRIKPKSA-N. The full InChI is InChI=1S/C7H12N2/c1-6(5-8-3)7(2)9-4/h5,9H,2-3H2,1,4H3/b6-5+.
What are the key properties of (3E)-N,3-dimethyl-4-(methylideneamino)buta-1,3-dien-2-amine?
(3E)-N,3-dimethyl-4-(methylideneamino)buta-1,3-dien-2-amine has a molecular weight of 124.19 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-N,3-dimethyl-4-(methylideneamino)buta-1,3-dien-2-amine is sourced from PubChem (CID 143283347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).