3-[1-(1-aminopentan-3-yl)pyrrolidin-2-yl]propan-1-ol

C12H26N2O — CID 62468424

IUPAC3-[1-(1-aminopentan-3-yl)pyrrolidin-2-yl]propan-1-ol
SMILESCCC(CCN)N1CCCC1CCCO
InChIInChI=1S/C12H26N2O/c1-2-11(7-8-13)14-9-3-5-12(14)6-4-10-15/h11-12,15H,2-10,13H2,1H3
InChIKeyNWYXELXFJUMCJZ-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.35
Rot. Bonds7

About 3-[1-(1-aminopentan-3-yl)pyrrolidin-2-yl]propan-1-ol

3-[1-(1-aminopentan-3-yl)pyrrolidin-2-yl]propan-1-ol (PubChem CID 62468424) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 3-[1-(1-aminopentan-3-yl)pyrrolidin-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[1-(1-aminopentan-3-yl)pyrrolidin-2-yl]propan-1-ol
PubChem CID62468424
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name3-[1-(1-aminopentan-3-yl)pyrrolidin-2-yl]propan-1-ol
SMILESCCC(CCN)N1CCCC1CCCO
InChIInChI=1S/C12H26N2O/c1-2-11(7-8-13)14-9-3-5-12(14)6-4-10-15/h11-12,15H,2-10,13H2,1H3
InChIKeyNWYXELXFJUMCJZ-UHFFFAOYSA-N
XLogP1.35
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(1-aminopentan-3-yl)pyrrolidin-2-yl]propan-1-ol?
The IUPAC name of 3-[1-(1-aminopentan-3-yl)pyrrolidin-2-yl]propan-1-ol (CID 62468424) is 3-[1-(1-aminopentan-3-yl)pyrrolidin-2-yl]propan-1-ol.
What is the SMILES notation for 3-[1-(1-aminopentan-3-yl)pyrrolidin-2-yl]propan-1-ol?
The canonical SMILES for 3-[1-(1-aminopentan-3-yl)pyrrolidin-2-yl]propan-1-ol is CCC(CCN)N1CCCC1CCCO.
What is the InChIKey of 3-[1-(1-aminopentan-3-yl)pyrrolidin-2-yl]propan-1-ol?
The InChIKey is NWYXELXFJUMCJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-2-11(7-8-13)14-9-3-5-12(14)6-4-10-15/h11-12,15H,2-10,13H2,1H3.
What are the key properties of 3-[1-(1-aminopentan-3-yl)pyrrolidin-2-yl]propan-1-ol?
3-[1-(1-aminopentan-3-yl)pyrrolidin-2-yl]propan-1-ol has a molecular weight of 214.35 g/mol, XLogP of 1.35, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(1-aminopentan-3-yl)pyrrolidin-2-yl]propan-1-ol is sourced from PubChem (CID 62468424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).