2-[(cyclopropylamino)methyl]pyrrolidin-3-ol

C8H16N2O — CID 18179808

IUPAC2-[(cyclopropylamino)methyl]pyrrolidin-3-ol
SMILESOC1CCNC1CNC1CC1
InChIInChI=1S/C8H16N2O/c11-8-3-4-9-7(8)5-10-6-1-2-6/h6-11H,1-5H2
InChIKeyQUGSJICHTGMZMG-UHFFFAOYSA-N
MW156.23 g/mol
LogP-0.54
Rot. Bonds3

About 2-[(cyclopropylamino)methyl]pyrrolidin-3-ol

2-[(cyclopropylamino)methyl]pyrrolidin-3-ol (PubChem CID 18179808) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 2-[(cyclopropylamino)methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name2-[(cyclopropylamino)methyl]pyrrolidin-3-ol
PubChem CID18179808
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name2-[(cyclopropylamino)methyl]pyrrolidin-3-ol
SMILESOC1CCNC1CNC1CC1
InChIInChI=1S/C8H16N2O/c11-8-3-4-9-7(8)5-10-6-1-2-6/h6-11H,1-5H2
InChIKeyQUGSJICHTGMZMG-UHFFFAOYSA-N
XLogP-0.54
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 5-0.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(cyclopropylamino)methyl]pyrrolidin-3-ol?
The IUPAC name of 2-[(cyclopropylamino)methyl]pyrrolidin-3-ol (CID 18179808) is 2-[(cyclopropylamino)methyl]pyrrolidin-3-ol.
What is the SMILES notation for 2-[(cyclopropylamino)methyl]pyrrolidin-3-ol?
The canonical SMILES for 2-[(cyclopropylamino)methyl]pyrrolidin-3-ol is OC1CCNC1CNC1CC1.
What is the InChIKey of 2-[(cyclopropylamino)methyl]pyrrolidin-3-ol?
The InChIKey is QUGSJICHTGMZMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c11-8-3-4-9-7(8)5-10-6-1-2-6/h6-11H,1-5H2.
What are the key properties of 2-[(cyclopropylamino)methyl]pyrrolidin-3-ol?
2-[(cyclopropylamino)methyl]pyrrolidin-3-ol has a molecular weight of 156.23 g/mol, XLogP of -0.54, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(cyclopropylamino)methyl]pyrrolidin-3-ol is sourced from PubChem (CID 18179808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).