(3R)-1-methylpyrrolidin-3-amine

C5H12N2 — CID 21034111

IUPAC(3R)-1-methylpyrrolidin-3-amine
SMILESCN1CC[C@@H](N)C1
InChIInChI=1S/C5H12N2/c1-7-3-2-5(6)4-7/h5H,2-4,6H2,1H3/t5-/m1/s1
InChIKeyUNHOPMIDKWXFMF-RXMQYKEDSA-N
MW100.17 g/mol
LogP-0.35
Rot. Bonds

About (3R)-1-methylpyrrolidin-3-amine

(3R)-1-methylpyrrolidin-3-amine (PubChem CID 21034111) has the molecular formula C5H12N2 and a molecular weight of 100.17 g/mol. Its IUPAC name is (3R)-1-methylpyrrolidin-3-amine.

Molecular Properties

Compound Name(3R)-1-methylpyrrolidin-3-amine
PubChem CID21034111
Molecular FormulaC5H12N2
Molecular Weight100.17 g/mol
Exact Mass100.10
IUPAC Name(3R)-1-methylpyrrolidin-3-amine
SMILESCN1CC[C@@H](N)C1
InChIInChI=1S/C5H12N2/c1-7-3-2-5(6)4-7/h5H,2-4,6H2,1H3/t5-/m1/s1
InChIKeyUNHOPMIDKWXFMF-RXMQYKEDSA-N
XLogP-0.35
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.17
LogP ≤ 5-0.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-methylpyrrolidin-3-amine?
The IUPAC name of (3R)-1-methylpyrrolidin-3-amine (CID 21034111) is (3R)-1-methylpyrrolidin-3-amine.
What is the SMILES notation for (3R)-1-methylpyrrolidin-3-amine?
The canonical SMILES for (3R)-1-methylpyrrolidin-3-amine is CN1CC[C@@H](N)C1.
What is the InChIKey of (3R)-1-methylpyrrolidin-3-amine?
The InChIKey is UNHOPMIDKWXFMF-RXMQYKEDSA-N. The full InChI is InChI=1S/C5H12N2/c1-7-3-2-5(6)4-7/h5H,2-4,6H2,1H3/t5-/m1/s1.
What are the key properties of (3R)-1-methylpyrrolidin-3-amine?
(3R)-1-methylpyrrolidin-3-amine has a molecular weight of 100.17 g/mol, XLogP of -0.35, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-methylpyrrolidin-3-amine is sourced from PubChem (CID 21034111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).