4-(dimethylamino)-1-propan-2-ylpyrrolidin-3-ol

C9H20N2O — CID 130191633

IUPAC4-(dimethylamino)-1-propan-2-ylpyrrolidin-3-ol
SMILESCC(C)N1CC(O)C(N(C)C)C1
InChIInChI=1S/C9H20N2O/c1-7(2)11-5-8(10(3)4)9(12)6-11/h7-9,12H,5-6H2,1-4H3
InChIKeyQDECQRNEICMBPA-UHFFFAOYSA-N
MW172.27 g/mol
LogP0.00
Rot. Bonds2

About 4-(dimethylamino)-1-propan-2-ylpyrrolidin-3-ol

4-(dimethylamino)-1-propan-2-ylpyrrolidin-3-ol (PubChem CID 130191633) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is 4-(dimethylamino)-1-propan-2-ylpyrrolidin-3-ol.

Molecular Properties

Compound Name4-(dimethylamino)-1-propan-2-ylpyrrolidin-3-ol
PubChem CID130191633
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name4-(dimethylamino)-1-propan-2-ylpyrrolidin-3-ol
SMILESCC(C)N1CC(O)C(N(C)C)C1
InChIInChI=1S/C9H20N2O/c1-7(2)11-5-8(10(3)4)9(12)6-11/h7-9,12H,5-6H2,1-4H3
InChIKeyQDECQRNEICMBPA-UHFFFAOYSA-N
XLogP0.00
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-1-propan-2-ylpyrrolidin-3-ol?
The IUPAC name of 4-(dimethylamino)-1-propan-2-ylpyrrolidin-3-ol (CID 130191633) is 4-(dimethylamino)-1-propan-2-ylpyrrolidin-3-ol.
What is the SMILES notation for 4-(dimethylamino)-1-propan-2-ylpyrrolidin-3-ol?
The canonical SMILES for 4-(dimethylamino)-1-propan-2-ylpyrrolidin-3-ol is CC(C)N1CC(O)C(N(C)C)C1.
What is the InChIKey of 4-(dimethylamino)-1-propan-2-ylpyrrolidin-3-ol?
The InChIKey is QDECQRNEICMBPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-7(2)11-5-8(10(3)4)9(12)6-11/h7-9,12H,5-6H2,1-4H3.
What are the key properties of 4-(dimethylamino)-1-propan-2-ylpyrrolidin-3-ol?
4-(dimethylamino)-1-propan-2-ylpyrrolidin-3-ol has a molecular weight of 172.27 g/mol, XLogP of 0.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-1-propan-2-ylpyrrolidin-3-ol is sourced from PubChem (CID 130191633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).