2-(propylamino)-3-pyrrolidin-1-ylpropan-1-ol

C10H22N2O — CID 64796269

IUPAC2-(propylamino)-3-pyrrolidin-1-ylpropan-1-ol
SMILESCCCNC(CO)CN1CCCC1
InChIInChI=1S/C10H22N2O/c1-2-5-11-10(9-13)8-12-6-3-4-7-12/h10-11,13H,2-9H2,1H3
InChIKeyXZXKGLOBXMZKQO-UHFFFAOYSA-N
MW186.30 g/mol
LogP0.44
Rot. Bonds6

About 2-(propylamino)-3-pyrrolidin-1-ylpropan-1-ol

2-(propylamino)-3-pyrrolidin-1-ylpropan-1-ol (PubChem CID 64796269) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is 2-(propylamino)-3-pyrrolidin-1-ylpropan-1-ol.

Molecular Properties

Compound Name2-(propylamino)-3-pyrrolidin-1-ylpropan-1-ol
PubChem CID64796269
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC Name2-(propylamino)-3-pyrrolidin-1-ylpropan-1-ol
SMILESCCCNC(CO)CN1CCCC1
InChIInChI=1S/C10H22N2O/c1-2-5-11-10(9-13)8-12-6-3-4-7-12/h10-11,13H,2-9H2,1H3
InChIKeyXZXKGLOBXMZKQO-UHFFFAOYSA-N
XLogP0.44
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(propylamino)-3-pyrrolidin-1-ylpropan-1-ol?
The IUPAC name of 2-(propylamino)-3-pyrrolidin-1-ylpropan-1-ol (CID 64796269) is 2-(propylamino)-3-pyrrolidin-1-ylpropan-1-ol.
What is the SMILES notation for 2-(propylamino)-3-pyrrolidin-1-ylpropan-1-ol?
The canonical SMILES for 2-(propylamino)-3-pyrrolidin-1-ylpropan-1-ol is CCCNC(CO)CN1CCCC1.
What is the InChIKey of 2-(propylamino)-3-pyrrolidin-1-ylpropan-1-ol?
The InChIKey is XZXKGLOBXMZKQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O/c1-2-5-11-10(9-13)8-12-6-3-4-7-12/h10-11,13H,2-9H2,1H3.
What are the key properties of 2-(propylamino)-3-pyrrolidin-1-ylpropan-1-ol?
2-(propylamino)-3-pyrrolidin-1-ylpropan-1-ol has a molecular weight of 186.30 g/mol, XLogP of 0.44, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propylamino)-3-pyrrolidin-1-ylpropan-1-ol is sourced from PubChem (CID 64796269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).