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

C13H28N2O — CID 62469047

IUPAC3-[1-[3-(propan-2-ylamino)propyl]pyrrolidin-2-yl]propan-1-ol
SMILESCC(C)NCCCN1CCCC1CCCO
InChIInChI=1S/C13H28N2O/c1-12(2)14-8-5-10-15-9-3-6-13(15)7-4-11-16/h12-14,16H,3-11H2,1-2H3
InChIKeyDXZQZHOSNSOOON-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.61
Rot. Bonds8

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

3-[1-[3-(propan-2-ylamino)propyl]pyrrolidin-2-yl]propan-1-ol (PubChem CID 62469047) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 3-[1-[3-(propan-2-ylamino)propyl]pyrrolidin-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[1-[3-(propan-2-ylamino)propyl]pyrrolidin-2-yl]propan-1-ol
PubChem CID62469047
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name3-[1-[3-(propan-2-ylamino)propyl]pyrrolidin-2-yl]propan-1-ol
SMILESCC(C)NCCCN1CCCC1CCCO
InChIInChI=1S/C13H28N2O/c1-12(2)14-8-5-10-15-9-3-6-13(15)7-4-11-16/h12-14,16H,3-11H2,1-2H3
InChIKeyDXZQZHOSNSOOON-UHFFFAOYSA-N
XLogP1.61
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.61
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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Frequently Asked Questions

What is the IUPAC name of 3-[1-[3-(propan-2-ylamino)propyl]pyrrolidin-2-yl]propan-1-ol?
The IUPAC name of 3-[1-[3-(propan-2-ylamino)propyl]pyrrolidin-2-yl]propan-1-ol (CID 62469047) is 3-[1-[3-(propan-2-ylamino)propyl]pyrrolidin-2-yl]propan-1-ol.
What is the SMILES notation for 3-[1-[3-(propan-2-ylamino)propyl]pyrrolidin-2-yl]propan-1-ol?
The canonical SMILES for 3-[1-[3-(propan-2-ylamino)propyl]pyrrolidin-2-yl]propan-1-ol is CC(C)NCCCN1CCCC1CCCO.
What is the InChIKey of 3-[1-[3-(propan-2-ylamino)propyl]pyrrolidin-2-yl]propan-1-ol?
The InChIKey is DXZQZHOSNSOOON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-12(2)14-8-5-10-15-9-3-6-13(15)7-4-11-16/h12-14,16H,3-11H2,1-2H3.
What are the key properties of 3-[1-[3-(propan-2-ylamino)propyl]pyrrolidin-2-yl]propan-1-ol?
3-[1-[3-(propan-2-ylamino)propyl]pyrrolidin-2-yl]propan-1-ol has a molecular weight of 228.38 g/mol, XLogP of 1.61, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[3-(propan-2-ylamino)propyl]pyrrolidin-2-yl]propan-1-ol is sourced from PubChem (CID 62469047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).