[(2S)-1-[(E)-4-methylpent-2-enyl]pyrrolidin-2-yl]methanamine

C11H22N2 — CID 59032697

IUPAC[(2S)-1-[(E)-4-methylpent-2-enyl]pyrrolidin-2-yl]methanamine
SMILESCC(C)/C=C/CN1CCC[C@H]1CN
InChIInChI=1S/C11H22N2/c1-10(2)5-3-7-13-8-4-6-11(13)9-12/h3,5,10-11H,4,6-9,12H2,1-2H3/b5-3+/t11-/m0/s1
InChIKeyJCGXHWYKGSSBEK-TZNOJPMFSA-N
MW182.31 g/mol
LogP1.62
Rot. Bonds4

About [(2S)-1-[(E)-4-methylpent-2-enyl]pyrrolidin-2-yl]methanamine

[(2S)-1-[(E)-4-methylpent-2-enyl]pyrrolidin-2-yl]methanamine (PubChem CID 59032697) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is [(2S)-1-[(E)-4-methylpent-2-enyl]pyrrolidin-2-yl]methanamine.

Molecular Properties

Compound Name[(2S)-1-[(E)-4-methylpent-2-enyl]pyrrolidin-2-yl]methanamine
PubChem CID59032697
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name[(2S)-1-[(E)-4-methylpent-2-enyl]pyrrolidin-2-yl]methanamine
SMILESCC(C)/C=C/CN1CCC[C@H]1CN
InChIInChI=1S/C11H22N2/c1-10(2)5-3-7-13-8-4-6-11(13)9-12/h3,5,10-11H,4,6-9,12H2,1-2H3/b5-3+/t11-/m0/s1
InChIKeyJCGXHWYKGSSBEK-TZNOJPMFSA-N
XLogP1.62
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 [(2S)-1-[(E)-4-methylpent-2-enyl]pyrrolidin-2-yl]methanamine?
The IUPAC name of [(2S)-1-[(E)-4-methylpent-2-enyl]pyrrolidin-2-yl]methanamine (CID 59032697) is [(2S)-1-[(E)-4-methylpent-2-enyl]pyrrolidin-2-yl]methanamine.
What is the SMILES notation for [(2S)-1-[(E)-4-methylpent-2-enyl]pyrrolidin-2-yl]methanamine?
The canonical SMILES for [(2S)-1-[(E)-4-methylpent-2-enyl]pyrrolidin-2-yl]methanamine is CC(C)/C=C/CN1CCC[C@H]1CN.
What is the InChIKey of [(2S)-1-[(E)-4-methylpent-2-enyl]pyrrolidin-2-yl]methanamine?
The InChIKey is JCGXHWYKGSSBEK-TZNOJPMFSA-N. The full InChI is InChI=1S/C11H22N2/c1-10(2)5-3-7-13-8-4-6-11(13)9-12/h3,5,10-11H,4,6-9,12H2,1-2H3/b5-3+/t11-/m0/s1.
What are the key properties of [(2S)-1-[(E)-4-methylpent-2-enyl]pyrrolidin-2-yl]methanamine?
[(2S)-1-[(E)-4-methylpent-2-enyl]pyrrolidin-2-yl]methanamine has a molecular weight of 182.31 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-[(E)-4-methylpent-2-enyl]pyrrolidin-2-yl]methanamine is sourced from PubChem (CID 59032697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).