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

C14H30N2O — CID 55076031

IUPAC3-[1-[3-(tert-butylamino)propyl]pyrrolidin-2-yl]propan-1-ol
SMILESCC(C)(C)NCCCN1CCCC1CCCO
InChIInChI=1S/C14H30N2O/c1-14(2,3)15-9-6-11-16-10-4-7-13(16)8-5-12-17/h13,15,17H,4-12H2,1-3H3
InChIKeyJIIBHPAXEWWYSG-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.00
Rot. Bonds7

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

3-[1-[3-(tert-butylamino)propyl]pyrrolidin-2-yl]propan-1-ol (PubChem CID 55076031) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is 3-[1-[3-(tert-butylamino)propyl]pyrrolidin-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[1-[3-(tert-butylamino)propyl]pyrrolidin-2-yl]propan-1-ol
PubChem CID55076031
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Name3-[1-[3-(tert-butylamino)propyl]pyrrolidin-2-yl]propan-1-ol
SMILESCC(C)(C)NCCCN1CCCC1CCCO
InChIInChI=1S/C14H30N2O/c1-14(2,3)15-9-6-11-16-10-4-7-13(16)8-5-12-17/h13,15,17H,4-12H2,1-3H3
InChIKeyJIIBHPAXEWWYSG-UHFFFAOYSA-N
XLogP2.00
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 52.00
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-(tert-butylamino)propyl]pyrrolidin-2-yl]propan-1-ol?
The IUPAC name of 3-[1-[3-(tert-butylamino)propyl]pyrrolidin-2-yl]propan-1-ol (CID 55076031) is 3-[1-[3-(tert-butylamino)propyl]pyrrolidin-2-yl]propan-1-ol.
What is the SMILES notation for 3-[1-[3-(tert-butylamino)propyl]pyrrolidin-2-yl]propan-1-ol?
The canonical SMILES for 3-[1-[3-(tert-butylamino)propyl]pyrrolidin-2-yl]propan-1-ol is CC(C)(C)NCCCN1CCCC1CCCO.
What is the InChIKey of 3-[1-[3-(tert-butylamino)propyl]pyrrolidin-2-yl]propan-1-ol?
The InChIKey is JIIBHPAXEWWYSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-14(2,3)15-9-6-11-16-10-4-7-13(16)8-5-12-17/h13,15,17H,4-12H2,1-3H3.
What are the key properties of 3-[1-[3-(tert-butylamino)propyl]pyrrolidin-2-yl]propan-1-ol?
3-[1-[3-(tert-butylamino)propyl]pyrrolidin-2-yl]propan-1-ol has a molecular weight of 242.41 g/mol, XLogP of 2.00, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[3-(tert-butylamino)propyl]pyrrolidin-2-yl]propan-1-ol is sourced from PubChem (CID 55076031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).