(3S)-1-methylpyrrolidin-3-amine;dihydrochloride

Name: (3S)-1-methylpyrrolidin-3-amine;dihydrochloride — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₅H₁₄Cl₂N₂ — CID 53256033

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC(3S)-1-methylpyrrolidin-3-amine;dihydrochloride

SMILESCN1CC[C@H](N)C1.Cl.Cl

InChIInChI=1S/C5H12N2.2ClH/c1-7-3-2-5(6)4-7;;/h5H,2-4,6H2,1H3;2*1H/t5-;;/m0../s1

InChIKeyKMENRFVAAKFKIM-XRIGFGBMSA-N

MW173.09 g/mol

LogP0.49

Rot. Bonds

About (3S)-1-methylpyrrolidin-3-amine;dihydrochloride

(3S)-1-methylpyrrolidin-3-amine;dihydrochloride (PubChem CID 53256033) has the molecular formula C₅H₁₄Cl₂N₂ and a molecular weight of 173.09 g/mol. Its IUPAC name is (3S)-1-methylpyrrolidin-3-amine;dihydrochloride.

Molecular Properties

Compound Name	(3S)-1-methylpyrrolidin-3-amine;dihydrochloride
PubChem CID	53256033
Molecular Formula	C₅H₁₄Cl₂N₂
Molecular Weight	173.09 g/mol
Exact Mass	172.05
IUPAC Name	(3S)-1-methylpyrrolidin-3-amine;dihydrochloride
SMILES	CN1CC[C@H](N)C1.Cl.Cl
InChI	InChI=1S/C5H12N2.2ClH/c1-7-3-2-5(6)4-7;;/h5H,2-4,6H2,1H3;2*1H/t5-;;/m0../s1
InChIKey	KMENRFVAAKFKIM-XRIGFGBMSA-N
XLogP	0.49
TPSA	29.26 Å²
H-Bond Donors	1
H-Bond Acceptors	2
Rotatable Bonds
Heavy Atoms	9
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	173.09
LogP ≤ 5	0.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of (3S)-1-methylpyrrolidin-3-amine;dihydrochloride?

The IUPAC name of (3S)-1-methylpyrrolidin-3-amine;dihydrochloride (CID 53256033) is (3S)-1-methylpyrrolidin-3-amine;dihydrochloride.

What is the SMILES notation for (3S)-1-methylpyrrolidin-3-amine;dihydrochloride?

The canonical SMILES for (3S)-1-methylpyrrolidin-3-amine;dihydrochloride is CN1CC[C@H](N)C1.Cl.Cl.

What is the InChIKey of (3S)-1-methylpyrrolidin-3-amine;dihydrochloride?

The InChIKey is KMENRFVAAKFKIM-XRIGFGBMSA-N. The full InChI is InChI=1S/C5H12N2.2ClH/c1-7-3-2-5(6)4-7;;/h5H,2-4,6H2,1H3;2*1H/t5-;;/m0../s1.

What are the key properties of (3S)-1-methylpyrrolidin-3-amine;dihydrochloride?

(3S)-1-methylpyrrolidin-3-amine;dihydrochloride has a molecular weight of 173.09 g/mol, XLogP of 0.49, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (3S)-1-methylpyrrolidin-3-amine;dihydrochloride is sourced from PubChem (CID 53256033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 53256033 — identifiers, structure, computed properties (public domain)

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