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

C11H24N2O — CID 81413940

IUPAC2,2-dimethyl-3-(2-pyrrolidin-1-ylethylamino)propan-1-ol
SMILESCC(C)(CO)CNCCN1CCCC1
InChIInChI=1S/C11H24N2O/c1-11(2,10-14)9-12-5-8-13-6-3-4-7-13/h12,14H,3-10H2,1-2H3
InChIKeyGGVMFVCJXGNQBG-UHFFFAOYSA-N
MW200.33 g/mol
LogP0.69
Rot. Bonds6

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

2,2-dimethyl-3-(2-pyrrolidin-1-ylethylamino)propan-1-ol (PubChem CID 81413940) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is 2,2-dimethyl-3-(2-pyrrolidin-1-ylethylamino)propan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-3-(2-pyrrolidin-1-ylethylamino)propan-1-ol
PubChem CID81413940
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name2,2-dimethyl-3-(2-pyrrolidin-1-ylethylamino)propan-1-ol
SMILESCC(C)(CO)CNCCN1CCCC1
InChIInChI=1S/C11H24N2O/c1-11(2,10-14)9-12-5-8-13-6-3-4-7-13/h12,14H,3-10H2,1-2H3
InChIKeyGGVMFVCJXGNQBG-UHFFFAOYSA-N
XLogP0.69
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 ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2,2-dimethyl-3-(2-pyrrolidin-1-ylethylamino)propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
2,2-dimethyl-N-(2-pyrrolidin-1-ylethyl)butan-1-amine
CID 115651559
2-methyl-2-methylsulfanyl-N-(2-pyrrolidin-1-ylethyl)propan-1-amine
CID 107911941
2-N,2-N,2-trimethyl-1-N-(2-pyrrolidin-1-ylethyl)propane-1,2-diamine
CID 103605340
2-methoxy-2-methyl-N-(2-pyrrolidin-1-ylethyl)propan-1-amine
CID 103019916
2,2-dimethyl-3-[3-(4-methylpiperidin-1-yl)propylamino]propan-1-ol
CID 81413621
2-pyrrolidin-1-yl-N-(2-pyrrolidin-1-ylethyl)ethanamine
CID 19869583
2-methyl-1-(3-pyrrolidin-1-ylpropylamino)propan-2-ol
CID 62989599
2-ethyl-2-(2-pyrrolidin-1-ylethylamino)propane-1,3-diol
CID 107912102
3-(2-piperidin-1-ylethylamino)propan-1-ol
CID 53211307
2-methyl-1-(3-pyrrolidin-1-ylpropylamino)butan-2-ol
CID 65111581

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(2-pyrrolidin-1-ylethylamino)propan-1-ol?
The IUPAC name of 2,2-dimethyl-3-(2-pyrrolidin-1-ylethylamino)propan-1-ol (CID 81413940) is 2,2-dimethyl-3-(2-pyrrolidin-1-ylethylamino)propan-1-ol.
What is the SMILES notation for 2,2-dimethyl-3-(2-pyrrolidin-1-ylethylamino)propan-1-ol?
The canonical SMILES for 2,2-dimethyl-3-(2-pyrrolidin-1-ylethylamino)propan-1-ol is CC(C)(CO)CNCCN1CCCC1.
What is the InChIKey of 2,2-dimethyl-3-(2-pyrrolidin-1-ylethylamino)propan-1-ol?
The InChIKey is GGVMFVCJXGNQBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c1-11(2,10-14)9-12-5-8-13-6-3-4-7-13/h12,14H,3-10H2,1-2H3.
What are the key properties of 2,2-dimethyl-3-(2-pyrrolidin-1-ylethylamino)propan-1-ol?
2,2-dimethyl-3-(2-pyrrolidin-1-ylethylamino)propan-1-ol has a molecular weight of 200.33 g/mol, XLogP of 0.69, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(2-pyrrolidin-1-ylethylamino)propan-1-ol is sourced from PubChem (CID 81413940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).