(E)-N-methyl-N-prop-2-enylbut-2-en-1-amine

C8H15N — CID 54198139

IUPAC(E)-N-methyl-N-prop-2-enylbut-2-en-1-amine
SMILESC=CCN(C)C/C=C/C
InChIInChI=1S/C8H15N/c1-4-6-8-9(3)7-5-2/h4-6H,2,7-8H2,1,3H3/b6-4+
InChIKeyPNHXAKXDEVUJPU-GQCTYLIASA-N
MW125.21 g/mol
LogP1.68
Rot. Bonds4

About (E)-N-methyl-N-prop-2-enylbut-2-en-1-amine

(E)-N-methyl-N-prop-2-enylbut-2-en-1-amine (PubChem CID 54198139) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is (E)-N-methyl-N-prop-2-enylbut-2-en-1-amine.

Molecular Properties

Compound Name(E)-N-methyl-N-prop-2-enylbut-2-en-1-amine
PubChem CID54198139
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC Name(E)-N-methyl-N-prop-2-enylbut-2-en-1-amine
SMILESC=CCN(C)C/C=C/C
InChIInChI=1S/C8H15N/c1-4-6-8-9(3)7-5-2/h4-6H,2,7-8H2,1,3H3/b6-4+
InChIKeyPNHXAKXDEVUJPU-GQCTYLIASA-N
XLogP1.68
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 ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N-methyl-N-prop-2-enylbut-2-en-1-amine?
The IUPAC name of (E)-N-methyl-N-prop-2-enylbut-2-en-1-amine (CID 54198139) is (E)-N-methyl-N-prop-2-enylbut-2-en-1-amine.
What is the SMILES notation for (E)-N-methyl-N-prop-2-enylbut-2-en-1-amine?
The canonical SMILES for (E)-N-methyl-N-prop-2-enylbut-2-en-1-amine is C=CCN(C)C/C=C/C.
What is the InChIKey of (E)-N-methyl-N-prop-2-enylbut-2-en-1-amine?
The InChIKey is PNHXAKXDEVUJPU-GQCTYLIASA-N. The full InChI is InChI=1S/C8H15N/c1-4-6-8-9(3)7-5-2/h4-6H,2,7-8H2,1,3H3/b6-4+.
What are the key properties of (E)-N-methyl-N-prop-2-enylbut-2-en-1-amine?
(E)-N-methyl-N-prop-2-enylbut-2-en-1-amine has a molecular weight of 125.21 g/mol, XLogP of 1.68, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-methyl-N-prop-2-enylbut-2-en-1-amine is sourced from PubChem (CID 54198139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).