1-[3-(propylamino)propyl]pyrrolidin-3-ol

C10H22N2O — CID 62942273

IUPAC1-[3-(propylamino)propyl]pyrrolidin-3-ol
SMILESCCCNCCCN1CCC(O)C1
InChIInChI=1S/C10H22N2O/c1-2-5-11-6-3-7-12-8-4-10(13)9-12/h10-11,13H,2-9H2,1H3
InChIKeyGCVUUSZKRWSQPE-UHFFFAOYSA-N
MW186.30 g/mol
LogP0.44
Rot. Bonds6

About 1-[3-(propylamino)propyl]pyrrolidin-3-ol

1-[3-(propylamino)propyl]pyrrolidin-3-ol (PubChem CID 62942273) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is 1-[3-(propylamino)propyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[3-(propylamino)propyl]pyrrolidin-3-ol
PubChem CID62942273
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC Name1-[3-(propylamino)propyl]pyrrolidin-3-ol
SMILESCCCNCCCN1CCC(O)C1
InChIInChI=1S/C10H22N2O/c1-2-5-11-6-3-7-12-8-4-10(13)9-12/h10-11,13H,2-9H2,1H3
InChIKeyGCVUUSZKRWSQPE-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[3-[2-[3-(2-methylpyrrolidin-1-yl)propylamino]ethylamino]propyl]pyrrolidin-3-ol
CID 143268117
3-[3-(methoxymethyl)pyrrolidin-1-yl]-N-propylpropan-1-amine
CID 64570290
1-[2-(propylaminomethyl)prop-2-enyl]pyrrolidin-3-ol
CID 103070392
4-(3-methoxy-4-methylpiperidin-1-yl)-N-propylbutan-1-amine
CID 102968026
1-[2-methyl-2-(propylaminomethyl)pentyl]pyrrolidin-3-ol
CID 55131551
(3R)-1-(3-hydroxypropyl)pyrrolidin-3-ol
CID 68991646
N-propyl-3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-1-amine
CID 63009499
1-(2-ethylsulfonylethyl)pyrrolidin-3-ol
CID 62916486
1-(4-aminobutyl)pyrrolidin-3-ol
CID 18550500
(3R)-1-[2-(propan-2-ylamino)ethyl]pyrrolidin-3-ol
CID 94895891
(3R)-1-[3-(pentan-3-ylamino)propyl]piperidin-3-ol
CID 95120625
5-(3-hydroxypyrrolidin-1-yl)pentanehydrazide
CID 63572255

Frequently Asked Questions

What is the IUPAC name of 1-[3-(propylamino)propyl]pyrrolidin-3-ol?
The IUPAC name of 1-[3-(propylamino)propyl]pyrrolidin-3-ol (CID 62942273) is 1-[3-(propylamino)propyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[3-(propylamino)propyl]pyrrolidin-3-ol?
The canonical SMILES for 1-[3-(propylamino)propyl]pyrrolidin-3-ol is CCCNCCCN1CCC(O)C1.
What is the InChIKey of 1-[3-(propylamino)propyl]pyrrolidin-3-ol?
The InChIKey is GCVUUSZKRWSQPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O/c1-2-5-11-6-3-7-12-8-4-10(13)9-12/h10-11,13H,2-9H2,1H3.
What are the key properties of 1-[3-(propylamino)propyl]pyrrolidin-3-ol?
1-[3-(propylamino)propyl]pyrrolidin-3-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 1-[3-(propylamino)propyl]pyrrolidin-3-ol is sourced from PubChem (CID 62942273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).