(2E)-N-ethenyl-N-methylpenta-2,4-dien-2-amine

C8H13N — CID 126583892

IUPAC(2E)-N-ethenyl-N-methylpenta-2,4-dien-2-amine
SMILESC=C/C=C(\C)N(C)C=C
InChIInChI=1S/C8H13N/c1-5-7-8(3)9(4)6-2/h5-7H,1-2H2,3-4H3/b8-7+
InChIKeyTUAUZQQIQZUHTR-BQYQJAHWSA-N
MW123.20 g/mol
LogP2.15
Rot. Bonds3

About (2E)-N-ethenyl-N-methylpenta-2,4-dien-2-amine

(2E)-N-ethenyl-N-methylpenta-2,4-dien-2-amine (PubChem CID 126583892) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is (2E)-N-ethenyl-N-methylpenta-2,4-dien-2-amine.

Molecular Properties

Compound Name(2E)-N-ethenyl-N-methylpenta-2,4-dien-2-amine
PubChem CID126583892
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Name(2E)-N-ethenyl-N-methylpenta-2,4-dien-2-amine
SMILESC=C/C=C(\C)N(C)C=C
InChIInChI=1S/C8H13N/c1-5-7-8(3)9(4)6-2/h5-7H,1-2H2,3-4H3/b8-7+
InChIKeyTUAUZQQIQZUHTR-BQYQJAHWSA-N
XLogP2.15
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E)-N-ethenyl-N-methylpenta-2,4-dien-2-amine?
The IUPAC name of (2E)-N-ethenyl-N-methylpenta-2,4-dien-2-amine (CID 126583892) is (2E)-N-ethenyl-N-methylpenta-2,4-dien-2-amine.
What is the SMILES notation for (2E)-N-ethenyl-N-methylpenta-2,4-dien-2-amine?
The canonical SMILES for (2E)-N-ethenyl-N-methylpenta-2,4-dien-2-amine is C=C/C=C(\C)N(C)C=C.
What is the InChIKey of (2E)-N-ethenyl-N-methylpenta-2,4-dien-2-amine?
The InChIKey is TUAUZQQIQZUHTR-BQYQJAHWSA-N. The full InChI is InChI=1S/C8H13N/c1-5-7-8(3)9(4)6-2/h5-7H,1-2H2,3-4H3/b8-7+.
What are the key properties of (2E)-N-ethenyl-N-methylpenta-2,4-dien-2-amine?
(2E)-N-ethenyl-N-methylpenta-2,4-dien-2-amine has a molecular weight of 123.20 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N-ethenyl-N-methylpenta-2,4-dien-2-amine is sourced from PubChem (CID 126583892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).