(1E)-N-methyl-N-propylbuta-1,3-dien-1-amine

C8H15N — CID 142943331

IUPAC(1E)-N-methyl-N-propylbuta-1,3-dien-1-amine
SMILESC=C/C=C/N(C)CCC
InChIInChI=1S/C8H15N/c1-4-6-8-9(3)7-5-2/h4,6,8H,1,5,7H2,2-3H3/b8-6+
InChIKeyDEAWLUZLZRJYQZ-SOFGYWHQSA-N
MW125.21 g/mol
LogP2.03
Rot. Bonds4

About (1E)-N-methyl-N-propylbuta-1,3-dien-1-amine

(1E)-N-methyl-N-propylbuta-1,3-dien-1-amine (PubChem CID 142943331) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is (1E)-N-methyl-N-propylbuta-1,3-dien-1-amine.

Molecular Properties

Compound Name(1E)-N-methyl-N-propylbuta-1,3-dien-1-amine
PubChem CID142943331
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC Name(1E)-N-methyl-N-propylbuta-1,3-dien-1-amine
SMILESC=C/C=C/N(C)CCC
InChIInChI=1S/C8H15N/c1-4-6-8-9(3)7-5-2/h4,6,8H,1,5,7H2,2-3H3/b8-6+
InChIKeyDEAWLUZLZRJYQZ-SOFGYWHQSA-N
XLogP2.03
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.21
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1E)-N-methyl-N-prop-2-enylbuta-1,3-dien-1-amine
CID 143685278
(1Z)-N,N-dimethylbuta-1,3-dien-1-amine;ethane;propane
CID 143328939
(3Z)-hepta-1,3-diene
CID 6427773
N'-[(1E,3Z)-hexa-1,3,5-trienyl]-N'-methylmethanediamine
CID 118121074
(E)-N,N'-dimethyl-N'-propylethene-1,2-diamine
CID 147329171
(3Z)-N-methyl-N-propylhexa-1,3,5-trien-2-amine
CID 143165077
1-[(1E)-buta-1,3-dienyl]-2-ethyl-1,2-dimethylhydrazine;ethane
CID 143701320
bis((3E)-octa-1,3-diene);ruthenium
CID 173228817
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
1-[(1Z)-buta-1,3-dienyl]-1-hex-1-en-3-ylhydrazine
CID 144683345
triaconta-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecaene
CID 91195237

Frequently Asked Questions

What is the IUPAC name of (1E)-N-methyl-N-propylbuta-1,3-dien-1-amine?
The IUPAC name of (1E)-N-methyl-N-propylbuta-1,3-dien-1-amine (CID 142943331) is (1E)-N-methyl-N-propylbuta-1,3-dien-1-amine.
What is the SMILES notation for (1E)-N-methyl-N-propylbuta-1,3-dien-1-amine?
The canonical SMILES for (1E)-N-methyl-N-propylbuta-1,3-dien-1-amine is C=C/C=C/N(C)CCC.
What is the InChIKey of (1E)-N-methyl-N-propylbuta-1,3-dien-1-amine?
The InChIKey is DEAWLUZLZRJYQZ-SOFGYWHQSA-N. The full InChI is InChI=1S/C8H15N/c1-4-6-8-9(3)7-5-2/h4,6,8H,1,5,7H2,2-3H3/b8-6+.
What are the key properties of (1E)-N-methyl-N-propylbuta-1,3-dien-1-amine?
(1E)-N-methyl-N-propylbuta-1,3-dien-1-amine has a molecular weight of 125.21 g/mol, XLogP of 2.03, 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-propylbuta-1,3-dien-1-amine is sourced from PubChem (CID 142943331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).