3-amino-2-(3-propylpyrrolidin-1-yl)pentan-1-ol

C12H26N2O — CID 104840511

IUPAC3-amino-2-(3-propylpyrrolidin-1-yl)pentan-1-ol
SMILESCCCC1CCN(C(CO)C(N)CC)C1
InChIInChI=1S/C12H26N2O/c1-3-5-10-6-7-14(8-10)12(9-15)11(13)4-2/h10-12,15H,3-9,13H2,1-2H3
InChIKeyDMXPDONFQMWFFQ-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.21
Rot. Bonds6

About 3-amino-2-(3-propylpyrrolidin-1-yl)pentan-1-ol

3-amino-2-(3-propylpyrrolidin-1-yl)pentan-1-ol (PubChem CID 104840511) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 3-amino-2-(3-propylpyrrolidin-1-yl)pentan-1-ol.

Molecular Properties

Compound Name3-amino-2-(3-propylpyrrolidin-1-yl)pentan-1-ol
PubChem CID104840511
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name3-amino-2-(3-propylpyrrolidin-1-yl)pentan-1-ol
SMILESCCCC1CCN(C(CO)C(N)CC)C1
InChIInChI=1S/C12H26N2O/c1-3-5-10-6-7-14(8-10)12(9-15)11(13)4-2/h10-12,15H,3-9,13H2,1-2H3
InChIKeyDMXPDONFQMWFFQ-UHFFFAOYSA-N
XLogP1.21
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(3-propylpyrrolidin-1-yl)pentan-1-ol?
The IUPAC name of 3-amino-2-(3-propylpyrrolidin-1-yl)pentan-1-ol (CID 104840511) is 3-amino-2-(3-propylpyrrolidin-1-yl)pentan-1-ol.
What is the SMILES notation for 3-amino-2-(3-propylpyrrolidin-1-yl)pentan-1-ol?
The canonical SMILES for 3-amino-2-(3-propylpyrrolidin-1-yl)pentan-1-ol is CCCC1CCN(C(CO)C(N)CC)C1.
What is the InChIKey of 3-amino-2-(3-propylpyrrolidin-1-yl)pentan-1-ol?
The InChIKey is DMXPDONFQMWFFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-3-5-10-6-7-14(8-10)12(9-15)11(13)4-2/h10-12,15H,3-9,13H2,1-2H3.
What are the key properties of 3-amino-2-(3-propylpyrrolidin-1-yl)pentan-1-ol?
3-amino-2-(3-propylpyrrolidin-1-yl)pentan-1-ol has a molecular weight of 214.35 g/mol, XLogP of 1.21, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(3-propylpyrrolidin-1-yl)pentan-1-ol is sourced from PubChem (CID 104840511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).