[1-(1-methylpyrrolidin-3-yl)pyrrol-2-yl]methanamine

C10H17N3 — CID 82503676

IUPAC[1-(1-methylpyrrolidin-3-yl)pyrrol-2-yl]methanamine
SMILESCN1CCC(n2cccc2CN)C1
InChIInChI=1S/C10H17N3/c1-12-6-4-10(8-12)13-5-2-3-9(13)7-11/h2-3,5,10H,4,6-8,11H2,1H3
InChIKeyYNXMCFLHGKRPCC-UHFFFAOYSA-N
MW179.27 g/mol
LogP0.82
Rot. Bonds2

About [1-(1-methylpyrrolidin-3-yl)pyrrol-2-yl]methanamine

[1-(1-methylpyrrolidin-3-yl)pyrrol-2-yl]methanamine (PubChem CID 82503676) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is [1-(1-methylpyrrolidin-3-yl)pyrrol-2-yl]methanamine.

Molecular Properties

Compound Name[1-(1-methylpyrrolidin-3-yl)pyrrol-2-yl]methanamine
PubChem CID82503676
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name[1-(1-methylpyrrolidin-3-yl)pyrrol-2-yl]methanamine
SMILESCN1CCC(n2cccc2CN)C1
InChIInChI=1S/C10H17N3/c1-12-6-4-10(8-12)13-5-2-3-9(13)7-11/h2-3,5,10H,4,6-8,11H2,1H3
InChIKeyYNXMCFLHGKRPCC-UHFFFAOYSA-N
XLogP0.82
TPSA34.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(1-methylpyrrolidin-3-yl)pyrrol-2-yl]methanamine?
The IUPAC name of [1-(1-methylpyrrolidin-3-yl)pyrrol-2-yl]methanamine (CID 82503676) is [1-(1-methylpyrrolidin-3-yl)pyrrol-2-yl]methanamine.
What is the SMILES notation for [1-(1-methylpyrrolidin-3-yl)pyrrol-2-yl]methanamine?
The canonical SMILES for [1-(1-methylpyrrolidin-3-yl)pyrrol-2-yl]methanamine is CN1CCC(n2cccc2CN)C1.
What is the InChIKey of [1-(1-methylpyrrolidin-3-yl)pyrrol-2-yl]methanamine?
The InChIKey is YNXMCFLHGKRPCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-12-6-4-10(8-12)13-5-2-3-9(13)7-11/h2-3,5,10H,4,6-8,11H2,1H3.
What are the key properties of [1-(1-methylpyrrolidin-3-yl)pyrrol-2-yl]methanamine?
[1-(1-methylpyrrolidin-3-yl)pyrrol-2-yl]methanamine has a molecular weight of 179.27 g/mol, XLogP of 0.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1-methylpyrrolidin-3-yl)pyrrol-2-yl]methanamine is sourced from PubChem (CID 82503676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).