(1Z)-N-[(E)-ethylideneamino]buta-1,3-dien-1-amine

C6H10N2 — CID 156545040

IUPAC(1Z)-N-[(E)-ethylideneamino]buta-1,3-dien-1-amine
SMILESC=C/C=C\N/N=C/C
InChIInChI=1S/C6H10N2/c1-3-5-6-8-7-4-2/h3-6,8H,1H2,2H3/b6-5-,7-4+
InChIKeyMHRFXBOLDMRVSS-IUQJDUBZSA-N
MW110.16 g/mol
LogP1.28
Rot. Bonds3

About (1Z)-N-[(E)-ethylideneamino]buta-1,3-dien-1-amine

(1Z)-N-[(E)-ethylideneamino]buta-1,3-dien-1-amine (PubChem CID 156545040) has the molecular formula C6H10N2 and a molecular weight of 110.16 g/mol. Its IUPAC name is (1Z)-N-[(E)-ethylideneamino]buta-1,3-dien-1-amine.

Molecular Properties

Compound Name(1Z)-N-[(E)-ethylideneamino]buta-1,3-dien-1-amine
PubChem CID156545040
Molecular FormulaC6H10N2
Molecular Weight110.16 g/mol
Exact Mass110.08
IUPAC Name(1Z)-N-[(E)-ethylideneamino]buta-1,3-dien-1-amine
SMILESC=C/C=C\N/N=C/C
InChIInChI=1S/C6H10N2/c1-3-5-6-8-7-4-2/h3-6,8H,1H2,2H3/b6-5-,7-4+
InChIKeyMHRFXBOLDMRVSS-IUQJDUBZSA-N
XLogP1.28
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

Diazepine
CID 166734
1H-pyrazol-1-ium
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(E)-N-[(E)-2,2-difluoroethylideneamino]prop-1-en-1-amine
CID 118153064
CID 57480009
CID 57480009
2-methyl-1H-triazine
CID 19710587
N-[(Z)-ethylideneamino]-2-methylprop-1-en-1-amine
CID 88887906
N-[(Z)-3-methylbut-2-enylideneamino]ethenamine
CID 88972622
(E)-N-[(Z)-ethylideneamino]but-1-en-1-amine
CID 89233443
(1E)-N-[(Z)-ethylideneamino]-1-(methylideneamino)buta-1,3-dien-1-amine
CID 90210922
(1E)-N-[(Z)-ethylideneamino]buta-1,3-dien-1-amine
CID 90210940
(Z)-3-ethenylimino-N-(methylideneamino)prop-1-en-1-amine
CID 118534621
(E)-N-[(E)-ethylideneamino]-N',N'-dimethylprop-1-ene-1,3-diamine
CID 118971587

Frequently Asked Questions

What is the IUPAC name of (1Z)-N-[(E)-ethylideneamino]buta-1,3-dien-1-amine?
The IUPAC name of (1Z)-N-[(E)-ethylideneamino]buta-1,3-dien-1-amine (CID 156545040) is (1Z)-N-[(E)-ethylideneamino]buta-1,3-dien-1-amine.
What is the SMILES notation for (1Z)-N-[(E)-ethylideneamino]buta-1,3-dien-1-amine?
The canonical SMILES for (1Z)-N-[(E)-ethylideneamino]buta-1,3-dien-1-amine is C=C/C=C\N/N=C/C.
What is the InChIKey of (1Z)-N-[(E)-ethylideneamino]buta-1,3-dien-1-amine?
The InChIKey is MHRFXBOLDMRVSS-IUQJDUBZSA-N. The full InChI is InChI=1S/C6H10N2/c1-3-5-6-8-7-4-2/h3-6,8H,1H2,2H3/b6-5-,7-4+.
What are the key properties of (1Z)-N-[(E)-ethylideneamino]buta-1,3-dien-1-amine?
(1Z)-N-[(E)-ethylideneamino]buta-1,3-dien-1-amine has a molecular weight of 110.16 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-N-[(E)-ethylideneamino]buta-1,3-dien-1-amine is sourced from PubChem (CID 156545040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).