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

C8H14N2 — CID 143834984

IUPAC(1Z)-1-[(Z)-ethylideneamino]-N,N-dimethylbuta-1,3-dien-1-amine
SMILESC=C/C=C(\N=C/C)N(C)C
InChIInChI=1S/C8H14N2/c1-5-7-8(9-6-2)10(3)4/h5-7H,1H2,2-4H3/b8-7+,9-6-
InChIKeyRKKYNKPWYMLNEC-NEVGTANLSA-N
MW138.21 g/mol
LogP1.67
Rot. Bonds3

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

(1Z)-1-[(Z)-ethylideneamino]-N,N-dimethylbuta-1,3-dien-1-amine (PubChem CID 143834984) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is (1Z)-1-[(Z)-ethylideneamino]-N,N-dimethylbuta-1,3-dien-1-amine.

Molecular Properties

Compound Name(1Z)-1-[(Z)-ethylideneamino]-N,N-dimethylbuta-1,3-dien-1-amine
PubChem CID143834984
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name(1Z)-1-[(Z)-ethylideneamino]-N,N-dimethylbuta-1,3-dien-1-amine
SMILESC=C/C=C(\N=C/C)N(C)C
InChIInChI=1S/C8H14N2/c1-5-7-8(9-6-2)10(3)4/h5-7H,1H2,2-4H3/b8-7+,9-6-
InChIKeyRKKYNKPWYMLNEC-NEVGTANLSA-N
XLogP1.67
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.67
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

(Z)-N-[(1E)-1-bromobuta-1,3-dienyl]ethanimine;ethane
CID 143004877
N-[(2E,4Z)-4-methylhepta-2,4,6-trien-3-yl]ethanimine
CID 146259127
N,N-dimethylhepta-1,3,5-trien-4-amine
CID 72511358
(2Z)-1,1,1-trifluoro-N,N-dimethylpenta-2,4-dien-2-amine
CID 139385369
(2Z)-N-[2-(dimethylamino)ethyl]-2-(ethylideneamino)penta-2,4-dienamide
CID 156869327
(2E,4E)-4-methoxy-N,N-dimethylhepta-2,4,6-trien-3-amine
CID 144795930
(3Z)-N,N,2,2-tetramethylhexa-3,5-dien-3-amine
CID 129256004
(3E)-N,N-dimethyl-3-[(Z)-prop-1-enyl]hexa-1,3,5-trien-2-amine
CID 134569652
N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]ethanimine
CID 129313823
(3E)-2-N,2-N-dimethylhexa-1,3,5-triene-2,3-diamine
CID 130371607
N,N-dimethylmethanamine;(3E,5Z)-hepta-1,3,5-trien-4-amine
CID 144734718
(2E)-2-ethenyl-N,N-dimethylpenta-2,4-dienamide
CID 142465051

Frequently Asked Questions

What is the IUPAC name of (1Z)-1-[(Z)-ethylideneamino]-N,N-dimethylbuta-1,3-dien-1-amine?
The IUPAC name of (1Z)-1-[(Z)-ethylideneamino]-N,N-dimethylbuta-1,3-dien-1-amine (CID 143834984) is (1Z)-1-[(Z)-ethylideneamino]-N,N-dimethylbuta-1,3-dien-1-amine.
What is the SMILES notation for (1Z)-1-[(Z)-ethylideneamino]-N,N-dimethylbuta-1,3-dien-1-amine?
The canonical SMILES for (1Z)-1-[(Z)-ethylideneamino]-N,N-dimethylbuta-1,3-dien-1-amine is C=C/C=C(\N=C/C)N(C)C.
What is the InChIKey of (1Z)-1-[(Z)-ethylideneamino]-N,N-dimethylbuta-1,3-dien-1-amine?
The InChIKey is RKKYNKPWYMLNEC-NEVGTANLSA-N. The full InChI is InChI=1S/C8H14N2/c1-5-7-8(9-6-2)10(3)4/h5-7H,1H2,2-4H3/b8-7+,9-6-.
What are the key properties of (1Z)-1-[(Z)-ethylideneamino]-N,N-dimethylbuta-1,3-dien-1-amine?
(1Z)-1-[(Z)-ethylideneamino]-N,N-dimethylbuta-1,3-dien-1-amine has a molecular weight of 138.21 g/mol, XLogP of 1.67, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-1-[(Z)-ethylideneamino]-N,N-dimethylbuta-1,3-dien-1-amine is sourced from PubChem (CID 143834984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).