2-(3,3-dimethylpyrrolidin-1-yl)-3-methoxy-N-propylpropan-1-amine

C13H28N2O — CID 103226962

IUPAC2-(3,3-dimethylpyrrolidin-1-yl)-3-methoxy-N-propylpropan-1-amine
SMILESCCCNCC(COC)N1CCC(C)(C)C1
InChIInChI=1S/C13H28N2O/c1-5-7-14-9-12(10-16-4)15-8-6-13(2,3)11-15/h12,14H,5-11H2,1-4H3
InChIKeyKNIZJWDGNLCHRZ-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.73
Rot. Bonds7

About 2-(3,3-dimethylpyrrolidin-1-yl)-3-methoxy-N-propylpropan-1-amine

2-(3,3-dimethylpyrrolidin-1-yl)-3-methoxy-N-propylpropan-1-amine (PubChem CID 103226962) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 2-(3,3-dimethylpyrrolidin-1-yl)-3-methoxy-N-propylpropan-1-amine.

Molecular Properties

Compound Name2-(3,3-dimethylpyrrolidin-1-yl)-3-methoxy-N-propylpropan-1-amine
PubChem CID103226962
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name2-(3,3-dimethylpyrrolidin-1-yl)-3-methoxy-N-propylpropan-1-amine
SMILESCCCNCC(COC)N1CCC(C)(C)C1
InChIInChI=1S/C13H28N2O/c1-5-7-14-9-12(10-16-4)15-8-6-13(2,3)11-15/h12,14H,5-11H2,1-4H3
InChIKeyKNIZJWDGNLCHRZ-UHFFFAOYSA-N
XLogP1.73
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(3,3-dimethylpyrrolidin-1-yl)-3-methoxy-N-propylpropan-1-amine 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

N-[2-(3,3-dimethylpyrrolidin-1-yl)-3-methoxypropyl]cyclopropanamine
CID 103226957
N-[2-(3,3-dimethylpiperidin-1-yl)-3-methoxypropyl]-2-methylpropan-1-amine
CID 103226698
1-[1-methoxy-3-(propylamino)propan-2-yl]-N,N-dimethylpyrrolidin-3-amine
CID 103226498
N,N-diethyl-1-[1-methoxy-3-(propylamino)propan-2-yl]pyrrolidin-3-amine
CID 103226506
3-methoxy-2-(3-methoxypiperidin-1-yl)-N-propylpropan-1-amine
CID 103227415
2-(4-tert-butylpiperidin-1-yl)-3-methoxy-N-propylpropan-1-amine
CID 103225146
N-[2-(4,4-dimethylpiperidin-1-yl)-3-methoxypropyl]-2-methylpropan-2-amine
CID 103226367
2-(4-ethyl-3-methylpiperazin-1-yl)-3-methoxy-N-propylpropan-1-amine
CID 103226580
3-methoxy-2-(3-morpholin-4-ylpyrrolidin-1-yl)-N-propylpropan-1-amine
CID 103226527
N-propyl-2-(3,3,4-trimethylpiperazin-1-yl)butan-1-amine
CID 55216237
3-methoxy-2-(3-phenylpyrrolidin-1-yl)-N-propylpropan-1-amine
CID 103225133
4-methoxy-2,3-dimethyl-N-propylbutan-1-amine
CID 81016349

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethylpyrrolidin-1-yl)-3-methoxy-N-propylpropan-1-amine?
The IUPAC name of 2-(3,3-dimethylpyrrolidin-1-yl)-3-methoxy-N-propylpropan-1-amine (CID 103226962) is 2-(3,3-dimethylpyrrolidin-1-yl)-3-methoxy-N-propylpropan-1-amine.
What is the SMILES notation for 2-(3,3-dimethylpyrrolidin-1-yl)-3-methoxy-N-propylpropan-1-amine?
The canonical SMILES for 2-(3,3-dimethylpyrrolidin-1-yl)-3-methoxy-N-propylpropan-1-amine is CCCNCC(COC)N1CCC(C)(C)C1.
What is the InChIKey of 2-(3,3-dimethylpyrrolidin-1-yl)-3-methoxy-N-propylpropan-1-amine?
The InChIKey is KNIZJWDGNLCHRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-5-7-14-9-12(10-16-4)15-8-6-13(2,3)11-15/h12,14H,5-11H2,1-4H3.
What are the key properties of 2-(3,3-dimethylpyrrolidin-1-yl)-3-methoxy-N-propylpropan-1-amine?
2-(3,3-dimethylpyrrolidin-1-yl)-3-methoxy-N-propylpropan-1-amine has a molecular weight of 228.38 g/mol, XLogP of 1.73, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethylpyrrolidin-1-yl)-3-methoxy-N-propylpropan-1-amine is sourced from PubChem (CID 103226962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).