2-amino-1-(3-methylpyrrolidin-3-yl)ethanol

C7H16N2O — CID 115011610

IUPAC2-amino-1-(3-methylpyrrolidin-3-yl)ethanol
SMILESCC1(C(O)CN)CCNC1
InChIInChI=1S/C7H16N2O/c1-7(6(10)4-8)2-3-9-5-7/h6,9-10H,2-5,8H2,1H3
InChIKeyJMYDDTSPQCKZHP-UHFFFAOYSA-N
MW144.22 g/mol
LogP-0.69
Rot. Bonds2

About 2-amino-1-(3-methylpyrrolidin-3-yl)ethanol

2-amino-1-(3-methylpyrrolidin-3-yl)ethanol (PubChem CID 115011610) has the molecular formula C7H16N2O and a molecular weight of 144.22 g/mol. Its IUPAC name is 2-amino-1-(3-methylpyrrolidin-3-yl)ethanol.

Molecular Properties

Compound Name2-amino-1-(3-methylpyrrolidin-3-yl)ethanol
PubChem CID115011610
Molecular FormulaC7H16N2O
Molecular Weight144.22 g/mol
Exact Mass144.13
IUPAC Name2-amino-1-(3-methylpyrrolidin-3-yl)ethanol
SMILESCC1(C(O)CN)CCNC1
InChIInChI=1S/C7H16N2O/c1-7(6(10)4-8)2-3-9-5-7/h6,9-10H,2-5,8H2,1H3
InChIKeyJMYDDTSPQCKZHP-UHFFFAOYSA-N
XLogP-0.69
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.22
LogP ≤ 5-0.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3-methylpyrrolidin-3-yl)ethanol?
The IUPAC name of 2-amino-1-(3-methylpyrrolidin-3-yl)ethanol (CID 115011610) is 2-amino-1-(3-methylpyrrolidin-3-yl)ethanol.
What is the SMILES notation for 2-amino-1-(3-methylpyrrolidin-3-yl)ethanol?
The canonical SMILES for 2-amino-1-(3-methylpyrrolidin-3-yl)ethanol is CC1(C(O)CN)CCNC1.
What is the InChIKey of 2-amino-1-(3-methylpyrrolidin-3-yl)ethanol?
The InChIKey is JMYDDTSPQCKZHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O/c1-7(6(10)4-8)2-3-9-5-7/h6,9-10H,2-5,8H2,1H3.
What are the key properties of 2-amino-1-(3-methylpyrrolidin-3-yl)ethanol?
2-amino-1-(3-methylpyrrolidin-3-yl)ethanol has a molecular weight of 144.22 g/mol, XLogP of -0.69, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(3-methylpyrrolidin-3-yl)ethanol is sourced from PubChem (CID 115011610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).