3-[methyl-[(3S)-pyrrolidin-3-yl]amino]propan-1-ol

Name: 3-[methyl-[(3S)-pyrrolidin-3-yl]amino]propan-1-ol — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₈H₁₈N₂O — CID 156832815

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

IUPAC3-[methyl-[(3S)-pyrrolidin-3-yl]amino]propan-1-ol

SMILESCN(CCCO)[C@H]1CCNC1

InChIInChI=1S/C8H18N2O/c1-10(5-2-6-11)8-3-4-9-7-8/h8-9,11H,2-7H2,1H3/t8-/m0/s1

InChIKeyLKUAUPNWZJITNG-QMMMGPOBSA-N

MW158.24 g/mol

LogP-0.34

Rot. Bonds4

About 3-[methyl-[(3S)-pyrrolidin-3-yl]amino]propan-1-ol

3-[methyl-[(3S)-pyrrolidin-3-yl]amino]propan-1-ol (PubChem CID 156832815) has the molecular formula C₈H₁₈N₂O and a molecular weight of 158.24 g/mol. Its IUPAC name is 3-[methyl-[(3S)-pyrrolidin-3-yl]amino]propan-1-ol.

Molecular Properties

Compound Name	3-[methyl-[(3S)-pyrrolidin-3-yl]amino]propan-1-ol
PubChem CID	156832815
Molecular Formula	C₈H₁₈N₂O
Molecular Weight	158.24 g/mol
Exact Mass	158.14
IUPAC Name	3-[methyl-[(3S)-pyrrolidin-3-yl]amino]propan-1-ol
SMILES	CN(CCCO)[C@H]1CCNC1
InChI	InChI=1S/C8H18N2O/c1-10(5-2-6-11)8-3-4-9-7-8/h8-9,11H,2-7H2,1H3/t8-/m0/s1
InChIKey	LKUAUPNWZJITNG-QMMMGPOBSA-N
XLogP	-0.34
TPSA	35.50 Å²
H-Bond Donors	2
H-Bond Acceptors	3
Rotatable Bonds	4
Heavy Atoms	11
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	158.24
LogP ≤ 5	-0.34
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-[(3S)-pyrrolidin-3-yl]amino]propan-1-ol?

The IUPAC name of 3-[methyl-[(3S)-pyrrolidin-3-yl]amino]propan-1-ol (CID 156832815) is 3-[methyl-[(3S)-pyrrolidin-3-yl]amino]propan-1-ol.

What is the SMILES notation for 3-[methyl-[(3S)-pyrrolidin-3-yl]amino]propan-1-ol?

The canonical SMILES for 3-[methyl-[(3S)-pyrrolidin-3-yl]amino]propan-1-ol is CN(CCCO)[C@H]1CCNC1.

What is the InChIKey of 3-[methyl-[(3S)-pyrrolidin-3-yl]amino]propan-1-ol?

The InChIKey is LKUAUPNWZJITNG-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H18N2O/c1-10(5-2-6-11)8-3-4-9-7-8/h8-9,11H,2-7H2,1H3/t8-/m0/s1.

What are the key properties of 3-[methyl-[(3S)-pyrrolidin-3-yl]amino]propan-1-ol?

3-[methyl-[(3S)-pyrrolidin-3-yl]amino]propan-1-ol has a molecular weight of 158.24 g/mol, XLogP of -0.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[methyl-[(3S)-pyrrolidin-3-yl]amino]propan-1-ol is sourced from PubChem (CID 156832815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 156832815 — identifiers, structure, computed properties (public domain)

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