N-ethenyl-N-methylpenta-2,4-dien-2-amine

C8H13N — CID 123672208

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

About N-ethenyl-N-methylpenta-2,4-dien-2-amine

N-ethenyl-N-methylpenta-2,4-dien-2-amine (PubChem CID 123672208) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is N-ethenyl-N-methylpenta-2,4-dien-2-amine.

Molecular Properties

Compound NameN-ethenyl-N-methylpenta-2,4-dien-2-amine
PubChem CID123672208
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC NameN-ethenyl-N-methylpenta-2,4-dien-2-amine
SMILESC=CC=C(C)N(C)C=C
InChIInChI=1S/C8H13N/c1-5-7-8(3)9(4)6-2/h5-7H,1-2H2,3-4H3
InChIKeyTUAUZQQIQZUHTR-UHFFFAOYSA-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 N-ethenyl-N-methylpenta-2,4-dien-2-amine?
The IUPAC name of N-ethenyl-N-methylpenta-2,4-dien-2-amine (CID 123672208) is N-ethenyl-N-methylpenta-2,4-dien-2-amine.
What is the SMILES notation for N-ethenyl-N-methylpenta-2,4-dien-2-amine?
The canonical SMILES for N-ethenyl-N-methylpenta-2,4-dien-2-amine is C=CC=C(C)N(C)C=C.
What is the InChIKey of N-ethenyl-N-methylpenta-2,4-dien-2-amine?
The InChIKey is TUAUZQQIQZUHTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N/c1-5-7-8(3)9(4)6-2/h5-7H,1-2H2,3-4H3.
What are the key properties of N-ethenyl-N-methylpenta-2,4-dien-2-amine?
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 N-ethenyl-N-methylpenta-2,4-dien-2-amine is sourced from PubChem (CID 123672208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).