(E)-N-ethenyl-3-methylpent-2-en-1-imine;1-methylpyrrolidine;prop-1-en-2-amine

C16H31N3 — CID 143260278

IUPAC(E)-N-ethenyl-3-methylpent-2-en-1-imine;1-methylpyrrolidine;prop-1-en-2-amine
SMILESC=C(C)N.C=C/N=C/C=C(\C)CC.CN1CCCC1
InChIInChI=1S/C8H13N.C5H11N.C3H7N/c1-4-8(3)6-7-9-5-2;1-6-4-2-3-5-6;1-3(2)4/h5-7H,2,4H2,1,3H3;2-5H2,1H3;1,4H2,2H3/b8-6+,9-7+;;
InChIKeySABPYKIFLAJCSC-IWBCLEKBSA-N
MW265.44 g/mol
LogP3.75
Rot. Bonds3

About (E)-N-ethenyl-3-methylpent-2-en-1-imine;1-methylpyrrolidine;prop-1-en-2-amine

(E)-N-ethenyl-3-methylpent-2-en-1-imine;1-methylpyrrolidine;prop-1-en-2-amine (PubChem CID 143260278) has the molecular formula C16H31N3 and a molecular weight of 265.44 g/mol. Its IUPAC name is (E)-N-ethenyl-3-methylpent-2-en-1-imine;1-methylpyrrolidine;prop-1-en-2-amine.

Molecular Properties

Compound Name(E)-N-ethenyl-3-methylpent-2-en-1-imine;1-methylpyrrolidine;prop-1-en-2-amine
PubChem CID143260278
Molecular FormulaC16H31N3
Molecular Weight265.44 g/mol
Exact Mass265.25
IUPAC Name(E)-N-ethenyl-3-methylpent-2-en-1-imine;1-methylpyrrolidine;prop-1-en-2-amine
SMILESC=C(C)N.C=C/N=C/C=C(\C)CC.CN1CCCC1
InChIInChI=1S/C8H13N.C5H11N.C3H7N/c1-4-8(3)6-7-9-5-2;1-6-4-2-3-5-6;1-3(2)4/h5-7H,2,4H2,1,3H3;2-5H2,1H3;1,4H2,2H3/b8-6+,9-7+;;
InChIKeySABPYKIFLAJCSC-IWBCLEKBSA-N
XLogP3.75
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-ethenyl-3-methylpent-2-en-1-imine;1-methylpyrrolidine;prop-1-en-2-amine?
The IUPAC name of (E)-N-ethenyl-3-methylpent-2-en-1-imine;1-methylpyrrolidine;prop-1-en-2-amine (CID 143260278) is (E)-N-ethenyl-3-methylpent-2-en-1-imine;1-methylpyrrolidine;prop-1-en-2-amine.
What is the SMILES notation for (E)-N-ethenyl-3-methylpent-2-en-1-imine;1-methylpyrrolidine;prop-1-en-2-amine?
The canonical SMILES for (E)-N-ethenyl-3-methylpent-2-en-1-imine;1-methylpyrrolidine;prop-1-en-2-amine is C=C(C)N.C=C/N=C/C=C(\C)CC.CN1CCCC1.
What is the InChIKey of (E)-N-ethenyl-3-methylpent-2-en-1-imine;1-methylpyrrolidine;prop-1-en-2-amine?
The InChIKey is SABPYKIFLAJCSC-IWBCLEKBSA-N. The full InChI is InChI=1S/C8H13N.C5H11N.C3H7N/c1-4-8(3)6-7-9-5-2;1-6-4-2-3-5-6;1-3(2)4/h5-7H,2,4H2,1,3H3;2-5H2,1H3;1,4H2,2H3/b8-6+,9-7+;;.
What are the key properties of (E)-N-ethenyl-3-methylpent-2-en-1-imine;1-methylpyrrolidine;prop-1-en-2-amine?
(E)-N-ethenyl-3-methylpent-2-en-1-imine;1-methylpyrrolidine;prop-1-en-2-amine has a molecular weight of 265.44 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-ethenyl-3-methylpent-2-en-1-imine;1-methylpyrrolidine;prop-1-en-2-amine is sourced from PubChem (CID 143260278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).