(2S)-1-[(1,5-dimethylpyrrolidin-3-yl)amino]propan-2-ol

C9H20N2O — CID 103906633

IUPAC(2S)-1-[(1,5-dimethylpyrrolidin-3-yl)amino]propan-2-ol
SMILESCC1CC(NC[C@H](C)O)CN1C
InChIInChI=1S/C9H20N2O/c1-7-4-9(6-11(7)3)10-5-8(2)12/h7-10,12H,4-6H2,1-3H3/t7?,8-,9?/m0/s1
InChIKeyVGIRDTCLXAFGOX-MGURRDGZSA-N
MW172.27 g/mol
LogP0.05
Rot. Bonds3

About (2S)-1-[(1,5-dimethylpyrrolidin-3-yl)amino]propan-2-ol

(2S)-1-[(1,5-dimethylpyrrolidin-3-yl)amino]propan-2-ol (PubChem CID 103906633) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is (2S)-1-[(1,5-dimethylpyrrolidin-3-yl)amino]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[(1,5-dimethylpyrrolidin-3-yl)amino]propan-2-ol
PubChem CID103906633
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name(2S)-1-[(1,5-dimethylpyrrolidin-3-yl)amino]propan-2-ol
SMILESCC1CC(NC[C@H](C)O)CN1C
InChIInChI=1S/C9H20N2O/c1-7-4-9(6-11(7)3)10-5-8(2)12/h7-10,12H,4-6H2,1-3H3/t7?,8-,9?/m0/s1
InChIKeyVGIRDTCLXAFGOX-MGURRDGZSA-N
XLogP0.05
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

rac-(3R,4R)-1-methyl-4-(methylamino)pyrrolidin-3-ol
CID 44141717
rac-(3R,4R)-4-(dimethylamino)pyrrolidin-3-ol
CID 58007276
rac-(3R,4R)-4-amino-1-methylpyrrolidin-3-ol
CID 58396046
trans-4-(Dimethylamino)pyrrolidin-3-ol
CID 89685988
rac-(3R,4S)-4-(dimethylamino)pyrrolidin-3-ol dihydrochloride
CID 133655648
1-(Piperidin-4-YL)pyrrolidin-3-OL
CID 53408162
rac-(3R,5S)-5-[(methylamino)methyl]pyrrolidin-3-ol
CID 121553103
5-(Aminomethyl)-1-methylpyrrolidin-3-ol
CID 22731064
trans-4-(1-Piperidinyl)-3-pyrrolidinol dihydrochloride
CID 75530879
Rac-1-[(1r,2s)-2-aminocyclopentyl]pyrrolidin-3-ol
CID 131100604
(3S,5R)-5-((dimethylamino)methyl)pyrrolidin-3-ol dihydrochloride
CID 165761929
(3R,5S)-5-((dimethylamino)methyl)pyrrolidin-3-ol dihydrochloride
CID 165990367

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(1,5-dimethylpyrrolidin-3-yl)amino]propan-2-ol?
The IUPAC name of (2S)-1-[(1,5-dimethylpyrrolidin-3-yl)amino]propan-2-ol (CID 103906633) is (2S)-1-[(1,5-dimethylpyrrolidin-3-yl)amino]propan-2-ol.
What is the SMILES notation for (2S)-1-[(1,5-dimethylpyrrolidin-3-yl)amino]propan-2-ol?
The canonical SMILES for (2S)-1-[(1,5-dimethylpyrrolidin-3-yl)amino]propan-2-ol is CC1CC(NC[C@H](C)O)CN1C.
What is the InChIKey of (2S)-1-[(1,5-dimethylpyrrolidin-3-yl)amino]propan-2-ol?
The InChIKey is VGIRDTCLXAFGOX-MGURRDGZSA-N. The full InChI is InChI=1S/C9H20N2O/c1-7-4-9(6-11(7)3)10-5-8(2)12/h7-10,12H,4-6H2,1-3H3/t7?,8-,9?/m0/s1.
What are the key properties of (2S)-1-[(1,5-dimethylpyrrolidin-3-yl)amino]propan-2-ol?
(2S)-1-[(1,5-dimethylpyrrolidin-3-yl)amino]propan-2-ol has a molecular weight of 172.27 g/mol, XLogP of 0.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(1,5-dimethylpyrrolidin-3-yl)amino]propan-2-ol is sourced from PubChem (CID 103906633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).