(1Z)-N,N-dimethyl-1-(methylideneamino)buta-1,3-dien-1-amine

C7H12N2 — CID 144753233

IUPAC(1Z)-N,N-dimethyl-1-(methylideneamino)buta-1,3-dien-1-amine
SMILESC=C/C=C(\N=C)N(C)C
InChIInChI=1S/C7H12N2/c1-5-6-7(8-2)9(3)4/h5-6H,1-2H2,3-4H3/b7-6+
InChIKeyYDDQKQMCTHNDRA-VOTSOKGWSA-N
MW124.19 g/mol
LogP1.28
Rot. Bonds3

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

(1Z)-N,N-dimethyl-1-(methylideneamino)buta-1,3-dien-1-amine (PubChem CID 144753233) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is (1Z)-N,N-dimethyl-1-(methylideneamino)buta-1,3-dien-1-amine.

Molecular Properties

Compound Name(1Z)-N,N-dimethyl-1-(methylideneamino)buta-1,3-dien-1-amine
PubChem CID144753233
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name(1Z)-N,N-dimethyl-1-(methylideneamino)buta-1,3-dien-1-amine
SMILESC=C/C=C(\N=C)N(C)C
InChIInChI=1S/C7H12N2/c1-5-6-7(8-2)9(3)4/h5-6H,1-2H2,3-4H3/b7-6+
InChIKeyYDDQKQMCTHNDRA-VOTSOKGWSA-N
XLogP1.28
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 51.28
H-Bond Donors ≤ 50
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

(1E)-2-fluoro-N,N-dimethyl-1-(methylideneamino)buta-1,3-dien-1-amine
CID 144425455
N,N-dimethyl-1-(methylideneamino)penta-1,3-dien-1-amine
CID 123871731
N,N-dimethyl-1-(methylideneamino)buta-1,3-dien-1-amine
CID 123872415
(Z)-N-methyl-N-[(methylideneamino)methyl]but-1-en-1-amine
CID 134365422
(Z)-N,N-dimethyl-1-(methylideneamino)prop-1-en-1-amine
CID 134574399
(1Z)-N-methyl-1-(methylideneamino)buta-1,3-dien-1-amine
CID 141975628
(1Z)-N-methyl-1-(methylideneamino)buta-1,3-dien-1-amine;molecular hydrogen
CID 142986586
ethane;(Z)-N-methyl-N-[1-(methylideneamino)ethyl]prop-1-en-1-amine
CID 143379734
(1Z)-1-[(Z)-ethylideneamino]-N,N-dimethylbuta-1,3-dien-1-amine
CID 143834984
(1Z)-N-methyl-N-[(methylideneamino)methyl]buta-1,3-dien-1-amine
CID 155217031
(1Z,3Z)-N,N-dimethyl-1-(methylideneamino)penta-1,3-dien-1-amine
CID 167178545
(Z)-N-ethenyl-N-[1-(methylideneamino)ethenyl]prop-1-en-1-amine
CID 171812673

Frequently Asked Questions

What is the IUPAC name of (1Z)-N,N-dimethyl-1-(methylideneamino)buta-1,3-dien-1-amine?
The IUPAC name of (1Z)-N,N-dimethyl-1-(methylideneamino)buta-1,3-dien-1-amine (CID 144753233) is (1Z)-N,N-dimethyl-1-(methylideneamino)buta-1,3-dien-1-amine.
What is the SMILES notation for (1Z)-N,N-dimethyl-1-(methylideneamino)buta-1,3-dien-1-amine?
The canonical SMILES for (1Z)-N,N-dimethyl-1-(methylideneamino)buta-1,3-dien-1-amine is C=C/C=C(\N=C)N(C)C.
What is the InChIKey of (1Z)-N,N-dimethyl-1-(methylideneamino)buta-1,3-dien-1-amine?
The InChIKey is YDDQKQMCTHNDRA-VOTSOKGWSA-N. The full InChI is InChI=1S/C7H12N2/c1-5-6-7(8-2)9(3)4/h5-6H,1-2H2,3-4H3/b7-6+.
What are the key properties of (1Z)-N,N-dimethyl-1-(methylideneamino)buta-1,3-dien-1-amine?
(1Z)-N,N-dimethyl-1-(methylideneamino)buta-1,3-dien-1-amine has a molecular weight of 124.19 g/mol, XLogP of 1.28, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-N,N-dimethyl-1-(methylideneamino)buta-1,3-dien-1-amine is sourced from PubChem (CID 144753233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).