(E)-N-methyl-2-pyrrolidin-3-ylbut-1-en-1-amine

C9H18N2 — CID 143994231

IUPAC(E)-N-methyl-2-pyrrolidin-3-ylbut-1-en-1-amine
SMILESCC/C(=C\NC)C1CCNC1
InChIInChI=1S/C9H18N2/c1-3-8(6-10-2)9-4-5-11-7-9/h6,9-11H,3-5,7H2,1-2H3/b8-6+
InChIKeyDLXCLQGXTRXGQH-SOFGYWHQSA-N
MW154.26 g/mol
LogP1.11
Rot. Bonds3

About (E)-N-methyl-2-pyrrolidin-3-ylbut-1-en-1-amine

(E)-N-methyl-2-pyrrolidin-3-ylbut-1-en-1-amine (PubChem CID 143994231) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is (E)-N-methyl-2-pyrrolidin-3-ylbut-1-en-1-amine.

Molecular Properties

Compound Name(E)-N-methyl-2-pyrrolidin-3-ylbut-1-en-1-amine
PubChem CID143994231
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name(E)-N-methyl-2-pyrrolidin-3-ylbut-1-en-1-amine
SMILESCC/C(=C\NC)C1CCNC1
InChIInChI=1S/C9H18N2/c1-3-8(6-10-2)9-4-5-11-7-9/h6,9-11H,3-5,7H2,1-2H3/b8-6+
InChIKeyDLXCLQGXTRXGQH-SOFGYWHQSA-N
XLogP1.11
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E)-N-methyl-2-pyrrolidin-3-ylbut-1-en-1-amine?
The IUPAC name of (E)-N-methyl-2-pyrrolidin-3-ylbut-1-en-1-amine (CID 143994231) is (E)-N-methyl-2-pyrrolidin-3-ylbut-1-en-1-amine.
What is the SMILES notation for (E)-N-methyl-2-pyrrolidin-3-ylbut-1-en-1-amine?
The canonical SMILES for (E)-N-methyl-2-pyrrolidin-3-ylbut-1-en-1-amine is CC/C(=C\NC)C1CCNC1.
What is the InChIKey of (E)-N-methyl-2-pyrrolidin-3-ylbut-1-en-1-amine?
The InChIKey is DLXCLQGXTRXGQH-SOFGYWHQSA-N. The full InChI is InChI=1S/C9H18N2/c1-3-8(6-10-2)9-4-5-11-7-9/h6,9-11H,3-5,7H2,1-2H3/b8-6+.
What are the key properties of (E)-N-methyl-2-pyrrolidin-3-ylbut-1-en-1-amine?
(E)-N-methyl-2-pyrrolidin-3-ylbut-1-en-1-amine has a molecular weight of 154.26 g/mol, XLogP of 1.11, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-methyl-2-pyrrolidin-3-ylbut-1-en-1-amine is sourced from PubChem (CID 143994231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).