3-(1-aminopropan-2-yl)-1-methylpyrrolidin-3-ol

C8H18N2O — CID 79135575

IUPAC3-(1-aminopropan-2-yl)-1-methylpyrrolidin-3-ol
SMILESCC(CN)C1(O)CCN(C)C1
InChIInChI=1S/C8H18N2O/c1-7(5-9)8(11)3-4-10(2)6-8/h7,11H,3-6,9H2,1-2H3
InChIKeyOBZYTVPNMZOUSX-UHFFFAOYSA-N
MW158.24 g/mol
LogP-0.35
Rot. Bonds2

About 3-(1-aminopropan-2-yl)-1-methylpyrrolidin-3-ol

3-(1-aminopropan-2-yl)-1-methylpyrrolidin-3-ol (PubChem CID 79135575) has the molecular formula C8H18N2O and a molecular weight of 158.24 g/mol. Its IUPAC name is 3-(1-aminopropan-2-yl)-1-methylpyrrolidin-3-ol.

Molecular Properties

Compound Name3-(1-aminopropan-2-yl)-1-methylpyrrolidin-3-ol
PubChem CID79135575
Molecular FormulaC8H18N2O
Molecular Weight158.24 g/mol
Exact Mass158.14
IUPAC Name3-(1-aminopropan-2-yl)-1-methylpyrrolidin-3-ol
SMILESCC(CN)C1(O)CCN(C)C1
InChIInChI=1S/C8H18N2O/c1-7(5-9)8(11)3-4-10(2)6-8/h7,11H,3-6,9H2,1-2H3
InChIKeyOBZYTVPNMZOUSX-UHFFFAOYSA-N
XLogP-0.35
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1-aminopropan-2-yl)-1-methylpyrrolidin-3-ol?
The IUPAC name of 3-(1-aminopropan-2-yl)-1-methylpyrrolidin-3-ol (CID 79135575) is 3-(1-aminopropan-2-yl)-1-methylpyrrolidin-3-ol.
What is the SMILES notation for 3-(1-aminopropan-2-yl)-1-methylpyrrolidin-3-ol?
The canonical SMILES for 3-(1-aminopropan-2-yl)-1-methylpyrrolidin-3-ol is CC(CN)C1(O)CCN(C)C1.
What is the InChIKey of 3-(1-aminopropan-2-yl)-1-methylpyrrolidin-3-ol?
The InChIKey is OBZYTVPNMZOUSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O/c1-7(5-9)8(11)3-4-10(2)6-8/h7,11H,3-6,9H2,1-2H3.
What are the key properties of 3-(1-aminopropan-2-yl)-1-methylpyrrolidin-3-ol?
3-(1-aminopropan-2-yl)-1-methylpyrrolidin-3-ol has a molecular weight of 158.24 g/mol, XLogP of -0.35, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-aminopropan-2-yl)-1-methylpyrrolidin-3-ol is sourced from PubChem (CID 79135575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).