2,2-dimethyl-3-(3-pyrrolidin-1-ylpropylamino)propan-1-ol

C12H26N2O — CID 81414259

IUPAC2,2-dimethyl-3-(3-pyrrolidin-1-ylpropylamino)propan-1-ol
SMILESCC(C)(CO)CNCCCN1CCCC1
InChIInChI=1S/C12H26N2O/c1-12(2,11-15)10-13-6-5-9-14-7-3-4-8-14/h13,15H,3-11H2,1-2H3
InChIKeyDHUPQMUDZOCRMN-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.08
Rot. Bonds7

About 2,2-dimethyl-3-(3-pyrrolidin-1-ylpropylamino)propan-1-ol

2,2-dimethyl-3-(3-pyrrolidin-1-ylpropylamino)propan-1-ol (PubChem CID 81414259) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 2,2-dimethyl-3-(3-pyrrolidin-1-ylpropylamino)propan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-3-(3-pyrrolidin-1-ylpropylamino)propan-1-ol
PubChem CID81414259
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name2,2-dimethyl-3-(3-pyrrolidin-1-ylpropylamino)propan-1-ol
SMILESCC(C)(CO)CNCCCN1CCCC1
InChIInChI=1S/C12H26N2O/c1-12(2,11-15)10-13-6-5-9-14-7-3-4-8-14/h13,15H,3-11H2,1-2H3
InChIKeyDHUPQMUDZOCRMN-UHFFFAOYSA-N
XLogP1.08
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.08
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

2,2-dimethyl-3-(3-piperidin-1-ylpropylamino)propan-1-ol
CID 81414181
2,2-dimethyl-3-(2-pyrrolidin-1-ylethylamino)propan-1-ol
CID 81413940
2,2-dimethyl-3-[3-(4-methylpiperidin-1-yl)propylamino]propan-1-ol
CID 81413621
2-methyl-1-(3-pyrrolidin-1-ylpropylamino)propan-2-ol
CID 62989599
2-methyl-1-(3-pyrrolidin-1-ylpropylamino)butan-2-ol
CID 65111581
4,4-dimethyl-5-(3-pyrrolidin-1-ylpropylamino)pentanenitrile
CID 115651688
2-methoxy-2-methyl-N-(3-pyrrolidin-1-ylpropyl)propan-1-amine
CID 104760546
2,2-dimethyl-N-(2-pyrrolidin-1-ylethyl)butan-1-amine
CID 115651559
2-[3-(azepan-1-yl)propylamino]ethanol
CID 53216056
N-ethyl-3-pyrrolidin-1-ylpropan-1-amine
CID 23440046
4,4,4-trifluoro-N-(3-pyrrolidin-1-ylpropyl)butan-1-amine
CID 115513697
4-piperidin-1-yl-N-(3-piperidin-1-ylpropyl)butan-1-amine
CID 142273923

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(3-pyrrolidin-1-ylpropylamino)propan-1-ol?
The IUPAC name of 2,2-dimethyl-3-(3-pyrrolidin-1-ylpropylamino)propan-1-ol (CID 81414259) is 2,2-dimethyl-3-(3-pyrrolidin-1-ylpropylamino)propan-1-ol.
What is the SMILES notation for 2,2-dimethyl-3-(3-pyrrolidin-1-ylpropylamino)propan-1-ol?
The canonical SMILES for 2,2-dimethyl-3-(3-pyrrolidin-1-ylpropylamino)propan-1-ol is CC(C)(CO)CNCCCN1CCCC1.
What is the InChIKey of 2,2-dimethyl-3-(3-pyrrolidin-1-ylpropylamino)propan-1-ol?
The InChIKey is DHUPQMUDZOCRMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-12(2,11-15)10-13-6-5-9-14-7-3-4-8-14/h13,15H,3-11H2,1-2H3.
What are the key properties of 2,2-dimethyl-3-(3-pyrrolidin-1-ylpropylamino)propan-1-ol?
2,2-dimethyl-3-(3-pyrrolidin-1-ylpropylamino)propan-1-ol has a molecular weight of 214.35 g/mol, XLogP of 1.08, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(3-pyrrolidin-1-ylpropylamino)propan-1-ol is sourced from PubChem (CID 81414259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).