3-(2,2-dimethylpyrrolidin-1-yl)-2-phenyl-2-(propylamino)propan-1-ol

C18H30N2O — CID 64791689

IUPAC3-(2,2-dimethylpyrrolidin-1-yl)-2-phenyl-2-(propylamino)propan-1-ol
SMILESCCCNC(CO)(CN1CCCC1(C)C)c1ccccc1
InChIInChI=1S/C18H30N2O/c1-4-12-19-18(15-21,16-9-6-5-7-10-16)14-20-13-8-11-17(20,2)3/h5-7,9-10,19,21H,4,8,11-15H2,1-3H3
InChIKeyDJRURCGTWPNLIA-UHFFFAOYSA-N
MW290.45 g/mol
LogP2.75
Rot. Bonds7

About 3-(2,2-dimethylpyrrolidin-1-yl)-2-phenyl-2-(propylamino)propan-1-ol

3-(2,2-dimethylpyrrolidin-1-yl)-2-phenyl-2-(propylamino)propan-1-ol (PubChem CID 64791689) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 3-(2,2-dimethylpyrrolidin-1-yl)-2-phenyl-2-(propylamino)propan-1-ol.

Molecular Properties

Compound Name3-(2,2-dimethylpyrrolidin-1-yl)-2-phenyl-2-(propylamino)propan-1-ol
PubChem CID64791689
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name3-(2,2-dimethylpyrrolidin-1-yl)-2-phenyl-2-(propylamino)propan-1-ol
SMILESCCCNC(CO)(CN1CCCC1(C)C)c1ccccc1
InChIInChI=1S/C18H30N2O/c1-4-12-19-18(15-21,16-9-6-5-7-10-16)14-20-13-8-11-17(20,2)3/h5-7,9-10,19,21H,4,8,11-15H2,1-3H3
InChIKeyDJRURCGTWPNLIA-UHFFFAOYSA-N
XLogP2.75
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpyrrolidin-1-yl)-2-phenyl-2-(propylamino)propan-1-ol?
The IUPAC name of 3-(2,2-dimethylpyrrolidin-1-yl)-2-phenyl-2-(propylamino)propan-1-ol (CID 64791689) is 3-(2,2-dimethylpyrrolidin-1-yl)-2-phenyl-2-(propylamino)propan-1-ol.
What is the SMILES notation for 3-(2,2-dimethylpyrrolidin-1-yl)-2-phenyl-2-(propylamino)propan-1-ol?
The canonical SMILES for 3-(2,2-dimethylpyrrolidin-1-yl)-2-phenyl-2-(propylamino)propan-1-ol is CCCNC(CO)(CN1CCCC1(C)C)c1ccccc1.
What is the InChIKey of 3-(2,2-dimethylpyrrolidin-1-yl)-2-phenyl-2-(propylamino)propan-1-ol?
The InChIKey is DJRURCGTWPNLIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-4-12-19-18(15-21,16-9-6-5-7-10-16)14-20-13-8-11-17(20,2)3/h5-7,9-10,19,21H,4,8,11-15H2,1-3H3.
What are the key properties of 3-(2,2-dimethylpyrrolidin-1-yl)-2-phenyl-2-(propylamino)propan-1-ol?
3-(2,2-dimethylpyrrolidin-1-yl)-2-phenyl-2-(propylamino)propan-1-ol has a molecular weight of 290.45 g/mol, XLogP of 2.75, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpyrrolidin-1-yl)-2-phenyl-2-(propylamino)propan-1-ol is sourced from PubChem (CID 64791689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).