ethane;3-[1-methyl-3-(methylamino)pyrrolidin-3-yl]propan-1-ol

C11H26N2O — CID 123205274

IUPACethane;3-[1-methyl-3-(methylamino)pyrrolidin-3-yl]propan-1-ol
SMILESCC.CNC1(CCCO)CCN(C)C1
InChIInChI=1S/C9H20N2O.C2H6/c1-10-9(4-3-7-12)5-6-11(2)8-9;1-2/h10,12H,3-8H2,1-2H3;1-2H3
InChIKeyPTBBUQYVCNCMSM-UHFFFAOYSA-N
MW202.34 g/mol
LogP1.08
Rot. Bonds4

About ethane;3-[1-methyl-3-(methylamino)pyrrolidin-3-yl]propan-1-ol

ethane;3-[1-methyl-3-(methylamino)pyrrolidin-3-yl]propan-1-ol (PubChem CID 123205274) has the molecular formula C11H26N2O and a molecular weight of 202.34 g/mol. Its IUPAC name is ethane;3-[1-methyl-3-(methylamino)pyrrolidin-3-yl]propan-1-ol.

Molecular Properties

Compound Nameethane;3-[1-methyl-3-(methylamino)pyrrolidin-3-yl]propan-1-ol
PubChem CID123205274
Molecular FormulaC11H26N2O
Molecular Weight202.34 g/mol
Exact Mass202.20
IUPAC Nameethane;3-[1-methyl-3-(methylamino)pyrrolidin-3-yl]propan-1-ol
SMILESCC.CNC1(CCCO)CCN(C)C1
InChIInChI=1S/C9H20N2O.C2H6/c1-10-9(4-3-7-12)5-6-11(2)8-9;1-2/h10,12H,3-8H2,1-2H3;1-2H3
InChIKeyPTBBUQYVCNCMSM-UHFFFAOYSA-N
XLogP1.08
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-Methylpyrrolidin-2-yl)propan-1-ol
CID 71757782
3-(3-Amino-1-methylpyrrolidin-3-yl)propan-1-ol
CID 58293389
3-[1-Methyl-3-(methylamino)pyrrolidin-3-yl]propan-1-ol
CID 58293400
(4-Amino-1-tert-butylpyrrolidin-2-yl)methanol
CID 58311510
[1-Tert-butyl-4-(propan-2-ylamino)pyrrolidin-2-yl]methanol
CID 58311530
[(2S,4S)-4-amino-1-tert-butylpyrrolidin-2-yl]methanol
CID 58361146
[(2S)-4-amino-1-tert-butylpyrrolidin-2-yl]methanol
CID 58361150
[(2R,4R)-4-amino-1-tert-butylpyrrolidin-2-yl]methanol
CID 68271735
[(2S)-2-[2-(methylamino)ethyl]pyrrolidin-2-yl]methanol
CID 68282419
[(2R)-2-[2-(methylamino)ethyl]pyrrolidin-2-yl]methanol
CID 68282675
2,2-Dimethyl-3-pyrrolidineethanol
CID 84072847
2-(2-Propan-2-ylpyrrolidin-3-yl)ethanol
CID 84073061

Frequently Asked Questions

What is the IUPAC name of ethane;3-[1-methyl-3-(methylamino)pyrrolidin-3-yl]propan-1-ol?
The IUPAC name of ethane;3-[1-methyl-3-(methylamino)pyrrolidin-3-yl]propan-1-ol (CID 123205274) is ethane;3-[1-methyl-3-(methylamino)pyrrolidin-3-yl]propan-1-ol.
What is the SMILES notation for ethane;3-[1-methyl-3-(methylamino)pyrrolidin-3-yl]propan-1-ol?
The canonical SMILES for ethane;3-[1-methyl-3-(methylamino)pyrrolidin-3-yl]propan-1-ol is CC.CNC1(CCCO)CCN(C)C1.
What is the InChIKey of ethane;3-[1-methyl-3-(methylamino)pyrrolidin-3-yl]propan-1-ol?
The InChIKey is PTBBUQYVCNCMSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O.C2H6/c1-10-9(4-3-7-12)5-6-11(2)8-9;1-2/h10,12H,3-8H2,1-2H3;1-2H3.
What are the key properties of ethane;3-[1-methyl-3-(methylamino)pyrrolidin-3-yl]propan-1-ol?
ethane;3-[1-methyl-3-(methylamino)pyrrolidin-3-yl]propan-1-ol has a molecular weight of 202.34 g/mol, XLogP of 1.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-[1-methyl-3-(methylamino)pyrrolidin-3-yl]propan-1-ol is sourced from PubChem (CID 123205274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).