3-(3-amino-1-methylpyrrolidin-3-yl)propan-1-ol;ethane

C10H24N2O — CID 123406656

IUPAC3-(3-amino-1-methylpyrrolidin-3-yl)propan-1-ol;ethane
SMILESCC.CN1CCC(N)(CCCO)C1
InChIInChI=1S/C8H18N2O.C2H6/c1-10-5-4-8(9,7-10)3-2-6-11;1-2/h11H,2-7,9H2,1H3;1-2H3
InChIKeyGMOGGFWFDGUSJT-UHFFFAOYSA-N
MW188.31 g/mol
LogP0.82
Rot. Bonds3

About 3-(3-amino-1-methylpyrrolidin-3-yl)propan-1-ol;ethane

3-(3-amino-1-methylpyrrolidin-3-yl)propan-1-ol;ethane (PubChem CID 123406656) has the molecular formula C10H24N2O and a molecular weight of 188.31 g/mol. Its IUPAC name is 3-(3-amino-1-methylpyrrolidin-3-yl)propan-1-ol;ethane.

Molecular Properties

Compound Name3-(3-amino-1-methylpyrrolidin-3-yl)propan-1-ol;ethane
PubChem CID123406656
Molecular FormulaC10H24N2O
Molecular Weight188.31 g/mol
Exact Mass188.19
IUPAC Name3-(3-amino-1-methylpyrrolidin-3-yl)propan-1-ol;ethane
SMILESCC.CN1CCC(N)(CCCO)C1
InChIInChI=1S/C8H18N2O.C2H6/c1-10-5-4-8(9,7-10)3-2-6-11;1-2/h11H,2-7,9H2,1H3;1-2H3
InChIKeyGMOGGFWFDGUSJT-UHFFFAOYSA-N
XLogP0.82
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3R,4S)-3-amino-4-fluoro-1-methylpyrrolidin-3-yl]ethanol
CID 143715176
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
[(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
3-(4-Amino-1-methylpyrrolidin-3-yl)propan-1-ol
CID 91381665
Ethane;3-[1-methyl-3-(methylamino)pyrrolidin-3-yl]propan-1-ol
CID 123205274
1-(2,5-Diamino-2,5-dimethylhexan-3-yl)pyrrolidin-2-ol
CID 123540564

Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-1-methylpyrrolidin-3-yl)propan-1-ol;ethane?
The IUPAC name of 3-(3-amino-1-methylpyrrolidin-3-yl)propan-1-ol;ethane (CID 123406656) is 3-(3-amino-1-methylpyrrolidin-3-yl)propan-1-ol;ethane.
What is the SMILES notation for 3-(3-amino-1-methylpyrrolidin-3-yl)propan-1-ol;ethane?
The canonical SMILES for 3-(3-amino-1-methylpyrrolidin-3-yl)propan-1-ol;ethane is CC.CN1CCC(N)(CCCO)C1.
What is the InChIKey of 3-(3-amino-1-methylpyrrolidin-3-yl)propan-1-ol;ethane?
The InChIKey is GMOGGFWFDGUSJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O.C2H6/c1-10-5-4-8(9,7-10)3-2-6-11;1-2/h11H,2-7,9H2,1H3;1-2H3.
What are the key properties of 3-(3-amino-1-methylpyrrolidin-3-yl)propan-1-ol;ethane?
3-(3-amino-1-methylpyrrolidin-3-yl)propan-1-ol;ethane has a molecular weight of 188.31 g/mol, XLogP of 0.82, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-amino-1-methylpyrrolidin-3-yl)propan-1-ol;ethane is sourced from PubChem (CID 123406656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).