pyrrolidin-1-ylmethanamine

C5H12N2 — CID 13333400

IUPACpyrrolidin-1-ylmethanamine
SMILESNCN1CCCC1
InChIInChI=1S/C5H12N2/c6-5-7-3-1-2-4-7/h1-6H2
InChIKeyVMPYTOIPVPQDNX-UHFFFAOYSA-N
MW100.17 g/mol
LogP-0.00
Rot. Bonds1

About pyrrolidin-1-ylmethanamine

pyrrolidin-1-ylmethanamine (PubChem CID 13333400) has the molecular formula C5H12N2 and a molecular weight of 100.17 g/mol. Its IUPAC name is pyrrolidin-1-ylmethanamine.

Molecular Properties

Compound Namepyrrolidin-1-ylmethanamine
PubChem CID13333400
Molecular FormulaC5H12N2
Molecular Weight100.17 g/mol
Exact Mass100.10
IUPAC Namepyrrolidin-1-ylmethanamine
SMILESNCN1CCCC1
InChIInChI=1S/C5H12N2/c6-5-7-3-1-2-4-7/h1-6H2
InChIKeyVMPYTOIPVPQDNX-UHFFFAOYSA-N
XLogP-0.00
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.17
LogP ≤ 5-0.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Pyrrolidin-2-amine
CID 14298876
1-Aminoethylpyrrolidine
CID 20083172
(-)-(r)-2-Amino-methylpyrrolidine
CID 89312266
(3-Fluoropyrrolidin-1-yl)methanamine
CID 67514608
1-(3-fluoropyrrolidin-1-yl)-N-methylmethanamine
CID 68201721
(3,3-Difluoropyrrolidin-1-yl)methanamine
CID 116991591
4-Fluoro-1-methylpyrrolidin-2-amine
CID 153659045
2-Amino-3-fluoropyrrolidine-1-carbonitrile
CID 166799366
(3-Fluoro-3-methylpyrrolidin-1-yl)methanamine
CID 170381748
1-[(3S)-3-fluoropyrrolidin-1-yl]ethanamine
CID 174342083
1-(3-Fluoropyrrolidin-1-yl)ethanamine
CID 178155722
1-fluoro-N'-(pyrrolidin-1-ylmethyl)methanediamine
CID 142634109

Frequently Asked Questions

What is the IUPAC name of pyrrolidin-1-ylmethanamine?
The IUPAC name of pyrrolidin-1-ylmethanamine (CID 13333400) is pyrrolidin-1-ylmethanamine.
What is the SMILES notation for pyrrolidin-1-ylmethanamine?
The canonical SMILES for pyrrolidin-1-ylmethanamine is NCN1CCCC1.
What is the InChIKey of pyrrolidin-1-ylmethanamine?
The InChIKey is VMPYTOIPVPQDNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2/c6-5-7-3-1-2-4-7/h1-6H2.
What are the key properties of pyrrolidin-1-ylmethanamine?
pyrrolidin-1-ylmethanamine has a molecular weight of 100.17 g/mol, XLogP of -0.00, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolidin-1-ylmethanamine is sourced from PubChem (CID 13333400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).