2-methyl-1-(3-pyrrolidin-1-ylpropylamino)propan-2-ol

C11H24N2O — CID 62989599

IUPAC2-methyl-1-(3-pyrrolidin-1-ylpropylamino)propan-2-ol
SMILESCC(C)(O)CNCCCN1CCCC1
InChIInChI=1S/C11H24N2O/c1-11(2,14)10-12-6-5-9-13-7-3-4-8-13/h12,14H,3-10H2,1-2H3
InChIKeyHRUFNZVZAPSTET-UHFFFAOYSA-N
MW200.33 g/mol
LogP0.83
Rot. Bonds6

About 2-methyl-1-(3-pyrrolidin-1-ylpropylamino)propan-2-ol

2-methyl-1-(3-pyrrolidin-1-ylpropylamino)propan-2-ol (PubChem CID 62989599) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is 2-methyl-1-(3-pyrrolidin-1-ylpropylamino)propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-(3-pyrrolidin-1-ylpropylamino)propan-2-ol
PubChem CID62989599
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name2-methyl-1-(3-pyrrolidin-1-ylpropylamino)propan-2-ol
SMILESCC(C)(O)CNCCCN1CCCC1
InChIInChI=1S/C11H24N2O/c1-11(2,14)10-12-6-5-9-13-7-3-4-8-13/h12,14H,3-10H2,1-2H3
InChIKeyHRUFNZVZAPSTET-UHFFFAOYSA-N
XLogP0.83
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 50.83
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

2-methyl-1-(3-morpholin-4-ylpropylamino)propan-2-ol
CID 60886953
2-methyl-1-(3-pyrrolidin-1-ylpropylamino)butan-2-ol
CID 65111581
2,2-dimethyl-3-(3-pyrrolidin-1-ylpropylamino)propan-1-ol
CID 81414259
2,2-dimethyl-3-(3-piperidin-1-ylpropylamino)propan-1-ol
CID 81414181
2-methoxy-2-methyl-N-(3-pyrrolidin-1-ylpropyl)propan-1-amine
CID 104760546
N-ethyl-3-pyrrolidin-1-ylpropan-1-amine
CID 23440046
4,4-dimethyl-5-(3-pyrrolidin-1-ylpropylamino)pentanenitrile
CID 115651688
4-piperidin-1-yl-N-(3-piperidin-1-ylpropyl)butan-1-amine
CID 142273923
2-[3-(azepan-1-yl)propylamino]ethanol
CID 53216056
2,2-dimethyl-3-(2-pyrrolidin-1-ylethylamino)propan-1-ol
CID 81413940
N-(3-pyrrolidin-1-ylpropyl)heptan-1-amine
CID 43130243
4-chloro-N-(3-pyrrolidin-1-ylpropyl)pentan-1-amine
CID 106122021

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(3-pyrrolidin-1-ylpropylamino)propan-2-ol?
The IUPAC name of 2-methyl-1-(3-pyrrolidin-1-ylpropylamino)propan-2-ol (CID 62989599) is 2-methyl-1-(3-pyrrolidin-1-ylpropylamino)propan-2-ol.
What is the SMILES notation for 2-methyl-1-(3-pyrrolidin-1-ylpropylamino)propan-2-ol?
The canonical SMILES for 2-methyl-1-(3-pyrrolidin-1-ylpropylamino)propan-2-ol is CC(C)(O)CNCCCN1CCCC1.
What is the InChIKey of 2-methyl-1-(3-pyrrolidin-1-ylpropylamino)propan-2-ol?
The InChIKey is HRUFNZVZAPSTET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c1-11(2,14)10-12-6-5-9-13-7-3-4-8-13/h12,14H,3-10H2,1-2H3.
What are the key properties of 2-methyl-1-(3-pyrrolidin-1-ylpropylamino)propan-2-ol?
2-methyl-1-(3-pyrrolidin-1-ylpropylamino)propan-2-ol has a molecular weight of 200.33 g/mol, XLogP of 0.83, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(3-pyrrolidin-1-ylpropylamino)propan-2-ol is sourced from PubChem (CID 62989599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).