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

C8H14N2 — CID 143940433

IUPAC(1Z)-1-[(Z)-ethylideneamino]-N,3-dimethylbuta-1,3-dien-1-amine
SMILESC=C(C)/C=C(\N=C/C)NC
InChIInChI=1S/C8H14N2/c1-5-10-8(9-4)6-7(2)3/h5-6,9H,2H2,1,3-4H3/b8-6-,10-5-
InChIKeyUOCCTUUROKBFDA-BHJHHZOLSA-N
MW138.21 g/mol
LogP1.71
Rot. Bonds3

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

(1Z)-1-[(Z)-ethylideneamino]-N,3-dimethylbuta-1,3-dien-1-amine (PubChem CID 143940433) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is (1Z)-1-[(Z)-ethylideneamino]-N,3-dimethylbuta-1,3-dien-1-amine.

Molecular Properties

Compound Name(1Z)-1-[(Z)-ethylideneamino]-N,3-dimethylbuta-1,3-dien-1-amine
PubChem CID143940433
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name(1Z)-1-[(Z)-ethylideneamino]-N,3-dimethylbuta-1,3-dien-1-amine
SMILESC=C(C)/C=C(\N=C/C)NC
InChIInChI=1S/C8H14N2/c1-5-10-8(9-4)6-7(2)3/h5-6,9H,2H2,1,3-4H3/b8-6-,10-5-
InChIKeyUOCCTUUROKBFDA-BHJHHZOLSA-N
XLogP1.71
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.71
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

(1Z,4E)-N-[[(Z)-ethylideneamino]methyl]-5-fluoro-3-methylpenta-1,4-dien-1-amine
CID 142308838
(2E)-2-but-3-en-2-ylidene-1H-pyrimidine
CID 88579811
(Z)-2-[[(2E)-2-ethenylpenta-2,4-dienylidene]amino]-1-N'-methylethene-1,1-diamine
CID 89153792
(1Z,3Z)-2-ethenyl-4-(ethylideneamino)buta-1,3-dien-1-amine
CID 123299110
ethane;2-ethyl-N-methyl-1-[(Z)-prop-2-enylideneamino]but-1-en-1-amine
CID 141904448
(1Z)-N-methyl-1-[(Z)-propylideneamino]buta-1,3-dien-1-amine
CID 141975063
(1Z)-1-[(Z)-ethylideneamino]-N-methylbuta-1,3-dien-1-amine
CID 141975085
ethane;(1Z)-1-[(Z)-ethylideneamino]-N-methylbuta-1,3-dien-1-amine
CID 141975822
(E)-1-[(Z)-[(Z)-but-2-enylidene]amino]-N,2-dimethylbut-1-en-1-amine
CID 142119780
ethane;(1Z)-1-[(Z)-ethylideneamino]-3-methyl-N-propan-2-ylbuta-1,3-dien-1-amine
CID 142520948
(E)-N-methyl-1-[(Z)-[(Z)-2-methylbut-2-enylidene]amino]pent-1-en-1-amine
CID 143093208
(Z)-N-(3-ethenyl-4-methylidene-1H-pyridin-2-yl)ethanimine
CID 143533360

Frequently Asked Questions

What is the IUPAC name of (1Z)-1-[(Z)-ethylideneamino]-N,3-dimethylbuta-1,3-dien-1-amine?
The IUPAC name of (1Z)-1-[(Z)-ethylideneamino]-N,3-dimethylbuta-1,3-dien-1-amine (CID 143940433) is (1Z)-1-[(Z)-ethylideneamino]-N,3-dimethylbuta-1,3-dien-1-amine.
What is the SMILES notation for (1Z)-1-[(Z)-ethylideneamino]-N,3-dimethylbuta-1,3-dien-1-amine?
The canonical SMILES for (1Z)-1-[(Z)-ethylideneamino]-N,3-dimethylbuta-1,3-dien-1-amine is C=C(C)/C=C(\N=C/C)NC.
What is the InChIKey of (1Z)-1-[(Z)-ethylideneamino]-N,3-dimethylbuta-1,3-dien-1-amine?
The InChIKey is UOCCTUUROKBFDA-BHJHHZOLSA-N. The full InChI is InChI=1S/C8H14N2/c1-5-10-8(9-4)6-7(2)3/h5-6,9H,2H2,1,3-4H3/b8-6-,10-5-.
What are the key properties of (1Z)-1-[(Z)-ethylideneamino]-N,3-dimethylbuta-1,3-dien-1-amine?
(1Z)-1-[(Z)-ethylideneamino]-N,3-dimethylbuta-1,3-dien-1-amine has a molecular weight of 138.21 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-1-[(Z)-ethylideneamino]-N,3-dimethylbuta-1,3-dien-1-amine is sourced from PubChem (CID 143940433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).