1-(3-amino-2-methylpyrrolidin-1-yl)propan-2-ol

C8H18N2O — CID 130557984

IUPAC1-(3-amino-2-methylpyrrolidin-1-yl)propan-2-ol
SMILESCC(O)CN1CCC(N)C1C
InChIInChI=1S/C8H18N2O/c1-6(11)5-10-4-3-8(9)7(10)2/h6-8,11H,3-5,9H2,1-2H3
InChIKeyJTQQIXOAXNVONG-UHFFFAOYSA-N
MW158.25 g/mol
LogP-0.21
Rot. Bonds2

About 1-(3-amino-2-methylpyrrolidin-1-yl)propan-2-ol

1-(3-amino-2-methylpyrrolidin-1-yl)propan-2-ol (PubChem CID 130557984) has the molecular formula C8H18N2O and a molecular weight of 158.25 g/mol. Its IUPAC name is 1-(3-amino-2-methylpyrrolidin-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-(3-amino-2-methylpyrrolidin-1-yl)propan-2-ol
PubChem CID130557984
Molecular FormulaC8H18N2O
Molecular Weight158.25 g/mol
Exact Mass158.14
IUPAC Name1-(3-amino-2-methylpyrrolidin-1-yl)propan-2-ol
SMILESCC(O)CN1CCC(N)C1C
InChIInChI=1S/C8H18N2O/c1-6(11)5-10-4-3-8(9)7(10)2/h6-8,11H,3-5,9H2,1-2H3
InChIKeyJTQQIXOAXNVONG-UHFFFAOYSA-N
XLogP-0.21
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.25
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-2-methylpyrrolidin-1-yl)propan-2-ol?
The IUPAC name of 1-(3-amino-2-methylpyrrolidin-1-yl)propan-2-ol (CID 130557984) is 1-(3-amino-2-methylpyrrolidin-1-yl)propan-2-ol.
What is the SMILES notation for 1-(3-amino-2-methylpyrrolidin-1-yl)propan-2-ol?
The canonical SMILES for 1-(3-amino-2-methylpyrrolidin-1-yl)propan-2-ol is CC(O)CN1CCC(N)C1C.
What is the InChIKey of 1-(3-amino-2-methylpyrrolidin-1-yl)propan-2-ol?
The InChIKey is JTQQIXOAXNVONG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O/c1-6(11)5-10-4-3-8(9)7(10)2/h6-8,11H,3-5,9H2,1-2H3.
What are the key properties of 1-(3-amino-2-methylpyrrolidin-1-yl)propan-2-ol?
1-(3-amino-2-methylpyrrolidin-1-yl)propan-2-ol has a molecular weight of 158.25 g/mol, XLogP of -0.21, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-2-methylpyrrolidin-1-yl)propan-2-ol is sourced from PubChem (CID 130557984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).