(2S)-1-[(1-methylpyrrolidin-3-yl)methylamino]propan-2-ol

C9H20N2O — CID 106931881

IUPAC(2S)-1-[(1-methylpyrrolidin-3-yl)methylamino]propan-2-ol
SMILESC[C@H](O)CNCC1CCN(C)C1
InChIInChI=1S/C9H20N2O/c1-8(12)5-10-6-9-3-4-11(2)7-9/h8-10,12H,3-7H2,1-2H3/t8-,9?/m0/s1
InChIKeyWZWRZABVPAPFCA-IENPIDJESA-N
MW172.27 g/mol
LogP-0.09
Rot. Bonds4

About (2S)-1-[(1-methylpyrrolidin-3-yl)methylamino]propan-2-ol

(2S)-1-[(1-methylpyrrolidin-3-yl)methylamino]propan-2-ol (PubChem CID 106931881) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is (2S)-1-[(1-methylpyrrolidin-3-yl)methylamino]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[(1-methylpyrrolidin-3-yl)methylamino]propan-2-ol
PubChem CID106931881
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name(2S)-1-[(1-methylpyrrolidin-3-yl)methylamino]propan-2-ol
SMILESC[C@H](O)CNCC1CCN(C)C1
InChIInChI=1S/C9H20N2O/c1-8(12)5-10-6-9-3-4-11(2)7-9/h8-10,12H,3-7H2,1-2H3/t8-,9?/m0/s1
InChIKeyWZWRZABVPAPFCA-IENPIDJESA-N
XLogP-0.09
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-methylpiperidin-3-yl)-N-[(1-methylpyrrolidin-3-yl)methyl]methanamine
CID 62659433
1-cyclopropyl-2-[(1-methylpiperidin-4-yl)methylamino]ethanol
CID 63295066
2-[(1-methylpyrrolidin-3-yl)methylamino]propan-1-ol
CID 130204020
1-(1-methylpiperidin-4-yl)-N-[(1-methylpiperidin-4-yl)methyl]methanamine
CID 62657369
3-methyl-2-[(1-methylpyrrolidin-3-yl)methylamino]butan-1-ol
CID 115137561
(2S)-1-[(1,3-dimethylpiperidin-4-yl)amino]propan-2-ol
CID 103906380
2-methyl-3-[(1-methylpyrrolidin-3-yl)methylamino]butan-2-ol
CID 65337885
3-methoxy-2-methyl-N-[(1-methylpiperidin-4-yl)methyl]propan-1-amine
CID 62657183
(2R)-1-(1-methylpiperidin-4-yl)propan-2-ol
CID 130820619
N-(3-methylbutyl)-2-[(1-methylpyrrolidin-3-yl)methylamino]acetamide
CID 54956799
(2S)-2-amino-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide
CID 61146973
2-[(1-methylpyrrolidin-3-yl)methylamino]-1-(4-methylsulfonylphenyl)ethanol
CID 60908996

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(1-methylpyrrolidin-3-yl)methylamino]propan-2-ol?
The IUPAC name of (2S)-1-[(1-methylpyrrolidin-3-yl)methylamino]propan-2-ol (CID 106931881) is (2S)-1-[(1-methylpyrrolidin-3-yl)methylamino]propan-2-ol.
What is the SMILES notation for (2S)-1-[(1-methylpyrrolidin-3-yl)methylamino]propan-2-ol?
The canonical SMILES for (2S)-1-[(1-methylpyrrolidin-3-yl)methylamino]propan-2-ol is C[C@H](O)CNCC1CCN(C)C1.
What is the InChIKey of (2S)-1-[(1-methylpyrrolidin-3-yl)methylamino]propan-2-ol?
The InChIKey is WZWRZABVPAPFCA-IENPIDJESA-N. The full InChI is InChI=1S/C9H20N2O/c1-8(12)5-10-6-9-3-4-11(2)7-9/h8-10,12H,3-7H2,1-2H3/t8-,9?/m0/s1.
What are the key properties of (2S)-1-[(1-methylpyrrolidin-3-yl)methylamino]propan-2-ol?
(2S)-1-[(1-methylpyrrolidin-3-yl)methylamino]propan-2-ol has a molecular weight of 172.27 g/mol, XLogP of -0.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(1-methylpyrrolidin-3-yl)methylamino]propan-2-ol is sourced from PubChem (CID 106931881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).