(1E)-N-methyl-N-prop-2-enylbuta-1,3-dien-1-amine

C8H13N — CID 143685278

IUPAC(1E)-N-methyl-N-prop-2-enylbuta-1,3-dien-1-amine
SMILESC=C/C=C/N(C)CC=C
InChIInChI=1S/C8H13N/c1-4-6-8-9(3)7-5-2/h4-6,8H,1-2,7H2,3H3/b8-6+
InChIKeySKKUHNYVXRQIQE-SOFGYWHQSA-N
MW123.20 g/mol
LogP1.80
Rot. Bonds4

About (1E)-N-methyl-N-prop-2-enylbuta-1,3-dien-1-amine

(1E)-N-methyl-N-prop-2-enylbuta-1,3-dien-1-amine (PubChem CID 143685278) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is (1E)-N-methyl-N-prop-2-enylbuta-1,3-dien-1-amine.

Molecular Properties

Compound Name(1E)-N-methyl-N-prop-2-enylbuta-1,3-dien-1-amine
PubChem CID143685278
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Name(1E)-N-methyl-N-prop-2-enylbuta-1,3-dien-1-amine
SMILESC=C/C=C/N(C)CC=C
InChIInChI=1S/C8H13N/c1-4-6-8-9(3)7-5-2/h4-6,8H,1-2,7H2,3H3/b8-6+
InChIKeySKKUHNYVXRQIQE-SOFGYWHQSA-N
XLogP1.80
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(1E)-N-methyl-N-propylbuta-1,3-dien-1-amine
CID 142943331
N'-[(1E,3Z)-hexa-1,3,5-trienyl]-N'-methylmethanediamine
CID 118121074
(1Z)-N,N-dimethylbuta-1,3-dien-1-amine;ethane;propane
CID 143328939
1-buta-1,3-dienyl-1-methylhydrazine
CID 91065871
(1Z,3Z)-N-[(1Z)-buta-1,3-dienyl]-N-methylhexa-1,3,5-trien-1-amine
CID 163917439
N-methyl-N-[(E)-[methyl(prop-2-enyl)amino]diazenyl]prop-2-en-1-amine
CID 146437281
N-[bis(dimethylamino)phosphoryl]-N-methylprop-2-en-1-amine
CID 584619
N-methyl-N-prop-2-enylprop-2-en-1-amine;hydroiodide
CID 141311417
azane;N,N-dimethylprop-2-en-1-amine
CID 87892299
1-[(1E)-buta-1,3-dienyl]-2-ethyl-1,2-dimethylhydrazine;ethane
CID 143701320
N-[(1E)-buta-1,3-dienyl]-N-methylformamide
CID 58812160
N,N-dimethylprop-2-en-1-amine;gold;dihydrochloride
CID 174904826

Frequently Asked Questions

What is the IUPAC name of (1E)-N-methyl-N-prop-2-enylbuta-1,3-dien-1-amine?
The IUPAC name of (1E)-N-methyl-N-prop-2-enylbuta-1,3-dien-1-amine (CID 143685278) is (1E)-N-methyl-N-prop-2-enylbuta-1,3-dien-1-amine.
What is the SMILES notation for (1E)-N-methyl-N-prop-2-enylbuta-1,3-dien-1-amine?
The canonical SMILES for (1E)-N-methyl-N-prop-2-enylbuta-1,3-dien-1-amine is C=C/C=C/N(C)CC=C.
What is the InChIKey of (1E)-N-methyl-N-prop-2-enylbuta-1,3-dien-1-amine?
The InChIKey is SKKUHNYVXRQIQE-SOFGYWHQSA-N. The full InChI is InChI=1S/C8H13N/c1-4-6-8-9(3)7-5-2/h4-6,8H,1-2,7H2,3H3/b8-6+.
What are the key properties of (1E)-N-methyl-N-prop-2-enylbuta-1,3-dien-1-amine?
(1E)-N-methyl-N-prop-2-enylbuta-1,3-dien-1-amine has a molecular weight of 123.20 g/mol, XLogP of 1.80, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-N-methyl-N-prop-2-enylbuta-1,3-dien-1-amine is sourced from PubChem (CID 143685278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).