(2S)-1-[3-(dimethylamino)pyrrolidin-1-yl]propan-2-ol

C9H20N2O — CID 103935148

IUPAC(2S)-1-[3-(dimethylamino)pyrrolidin-1-yl]propan-2-ol
SMILESC[C@H](O)CN1CCC(N(C)C)C1
InChIInChI=1S/C9H20N2O/c1-8(12)6-11-5-4-9(7-11)10(2)3/h8-9,12H,4-7H2,1-3H3/t8-,9?/m0/s1
InChIKeyISARZQARKMAEPY-IENPIDJESA-N
MW172.27 g/mol
LogP0.00
Rot. Bonds3

About (2S)-1-[3-(dimethylamino)pyrrolidin-1-yl]propan-2-ol

(2S)-1-[3-(dimethylamino)pyrrolidin-1-yl]propan-2-ol (PubChem CID 103935148) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is (2S)-1-[3-(dimethylamino)pyrrolidin-1-yl]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[3-(dimethylamino)pyrrolidin-1-yl]propan-2-ol
PubChem CID103935148
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name(2S)-1-[3-(dimethylamino)pyrrolidin-1-yl]propan-2-ol
SMILESC[C@H](O)CN1CCC(N(C)C)C1
InChIInChI=1S/C9H20N2O/c1-8(12)6-11-5-4-9(7-11)10(2)3/h8-9,12H,4-7H2,1-3H3/t8-,9?/m0/s1
InChIKeyISARZQARKMAEPY-IENPIDJESA-N
XLogP0.00
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-(Dimethylamino)pyrrolidin-1-yl]-1,1,1-trifluoropropan-2-ol
CID 63899604
3-[3-(Diethylamino)pyrrolidin-1-yl]-1,1,1-trifluoropropan-2-ol
CID 63899606
3-[2-[(Dimethylamino)methyl]pyrrolidin-1-yl]-1,1,1-trifluoropropan-2-ol
CID 63900417
1,1,1-Trifluoro-3-[methyl(2-pyrrolidin-1-ylethyl)amino]propan-2-ol
CID 63900419
1,1,1-Trifluoro-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propan-2-ol
CID 79318800
3-[(1-Ethylpyrrolidin-2-yl)methyl-methylamino]-1,1,1-trifluoropropan-2-ol
CID 79319451
3-[3-(Dimethylamino)-4-methylpyrrolidin-1-yl]-1,1,1-trifluoropropan-2-ol
CID 81475208
1-Fluoro-3-[3-(methylamino)pyrrolidin-1-yl]propan-2-ol
CID 165597827
1-Fluoro-3-[(1-methylpyrrolidin-3-yl)amino]propan-2-ol
CID 165598374
1-[3-(Dimethylamino)pyrrolidin-1-yl]-3-fluoropropan-2-ol
CID 165600461
1-Fluoro-3-[methyl(1-methylpyrrolidin-3-yl)amino]propan-2-ol
CID 165601114
1-Fluoro-3-[methyl(pyrrolidin-3-yl)amino]propan-2-ol
CID 165876468

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[3-(dimethylamino)pyrrolidin-1-yl]propan-2-ol?
The IUPAC name of (2S)-1-[3-(dimethylamino)pyrrolidin-1-yl]propan-2-ol (CID 103935148) is (2S)-1-[3-(dimethylamino)pyrrolidin-1-yl]propan-2-ol.
What is the SMILES notation for (2S)-1-[3-(dimethylamino)pyrrolidin-1-yl]propan-2-ol?
The canonical SMILES for (2S)-1-[3-(dimethylamino)pyrrolidin-1-yl]propan-2-ol is C[C@H](O)CN1CCC(N(C)C)C1.
What is the InChIKey of (2S)-1-[3-(dimethylamino)pyrrolidin-1-yl]propan-2-ol?
The InChIKey is ISARZQARKMAEPY-IENPIDJESA-N. The full InChI is InChI=1S/C9H20N2O/c1-8(12)6-11-5-4-9(7-11)10(2)3/h8-9,12H,4-7H2,1-3H3/t8-,9?/m0/s1.
What are the key properties of (2S)-1-[3-(dimethylamino)pyrrolidin-1-yl]propan-2-ol?
(2S)-1-[3-(dimethylamino)pyrrolidin-1-yl]propan-2-ol has a molecular weight of 172.27 g/mol, XLogP of 0.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[3-(dimethylamino)pyrrolidin-1-yl]propan-2-ol is sourced from PubChem (CID 103935148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).