4-(ethylideneamino)-N,N-dimethylbuta-1,3-dien-2-amine

C8H14N2 — CID 123366460

IUPAC4-(ethylideneamino)-N,N-dimethylbuta-1,3-dien-2-amine
SMILESC=C(C=C/N=C/C)N(C)C
InChIInChI=1S/C8H14N2/c1-5-9-7-6-8(2)10(3)4/h5-7H,2H2,1,3-4H3/b7-6?,9-5+
InChIKeyCAHVESMIUOKZOC-HQKNVXHPSA-N
MW138.21 g/mol
LogP1.67
Rot. Bonds3

About 4-(ethylideneamino)-N,N-dimethylbuta-1,3-dien-2-amine

4-(ethylideneamino)-N,N-dimethylbuta-1,3-dien-2-amine (PubChem CID 123366460) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is 4-(ethylideneamino)-N,N-dimethylbuta-1,3-dien-2-amine.

Molecular Properties

Compound Name4-(ethylideneamino)-N,N-dimethylbuta-1,3-dien-2-amine
PubChem CID123366460
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name4-(ethylideneamino)-N,N-dimethylbuta-1,3-dien-2-amine
SMILESC=C(C=C/N=C/C)N(C)C
InChIInChI=1S/C8H14N2/c1-5-9-7-6-8(2)10(3)4/h5-7H,2H2,1,3-4H3/b7-6?,9-5+
InChIKeyCAHVESMIUOKZOC-HQKNVXHPSA-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

(3Z)-4-(ethylideneamino)buta-1,3-dien-2-ol
CID 143328048
N-(3-chlorobuta-1,3-dienyl)ethanimine
CID 123742417
(3Z,5E)-2-N,2-N-dimethylhepta-1,3,5-triene-2,5-diamine
CID 134313131
(3Z)-4-(ethylideneamino)-N-propan-2-ylbuta-1,3-dien-2-amine
CID 143487310
ethane;N-[(1Z,3Z)-3-methylpenta-1,3-dienyl]ethanimine
CID 142064369
(2Z)-4-(dimethylamino)penta-2,4-dienal
CID 45087254
[(3Z)-4-(ethylideneamino)buta-1,3-dien-2-yl] propanoate
CID 167131411
(3E)-5-bromo-N,N-dimethylpenta-1,3-dien-2-amine
CID 166982153
N-[(Z)-prop-1-enyl]ethanimine
CID 59954783
N-[(1Z,3Z)-3-methylhexa-1,3-dienyl]ethanimine
CID 88906035
ethane;N-[(Z)-2-(methylideneamino)ethenyl]ethanimine
CID 142047011
N-ethylidene-N'-prop-1-en-2-ylmethanimidamide
CID 130351047

Frequently Asked Questions

What is the IUPAC name of 4-(ethylideneamino)-N,N-dimethylbuta-1,3-dien-2-amine?
The IUPAC name of 4-(ethylideneamino)-N,N-dimethylbuta-1,3-dien-2-amine (CID 123366460) is 4-(ethylideneamino)-N,N-dimethylbuta-1,3-dien-2-amine.
What is the SMILES notation for 4-(ethylideneamino)-N,N-dimethylbuta-1,3-dien-2-amine?
The canonical SMILES for 4-(ethylideneamino)-N,N-dimethylbuta-1,3-dien-2-amine is C=C(C=C/N=C/C)N(C)C.
What is the InChIKey of 4-(ethylideneamino)-N,N-dimethylbuta-1,3-dien-2-amine?
The InChIKey is CAHVESMIUOKZOC-HQKNVXHPSA-N. The full InChI is InChI=1S/C8H14N2/c1-5-9-7-6-8(2)10(3)4/h5-7H,2H2,1,3-4H3/b7-6?,9-5+.
What are the key properties of 4-(ethylideneamino)-N,N-dimethylbuta-1,3-dien-2-amine?
4-(ethylideneamino)-N,N-dimethylbuta-1,3-dien-2-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 4-(ethylideneamino)-N,N-dimethylbuta-1,3-dien-2-amine is sourced from PubChem (CID 123366460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).