1-(3-amino-4-methylpyrrolidin-1-yl)-3-butoxypropan-2-ol

C12H26N2O2 — CID 107264251

IUPAC1-(3-amino-4-methylpyrrolidin-1-yl)-3-butoxypropan-2-ol
SMILESCCCCOCC(O)CN1CC(C)C(N)C1
InChIInChI=1S/C12H26N2O2/c1-3-4-5-16-9-11(15)7-14-6-10(2)12(13)8-14/h10-12,15H,3-9,13H2,1-2H3
InChIKeyATTAQLKTOBMBPU-UHFFFAOYSA-N
MW230.35 g/mol
LogP0.44
Rot. Bonds7

About 1-(3-amino-4-methylpyrrolidin-1-yl)-3-butoxypropan-2-ol

1-(3-amino-4-methylpyrrolidin-1-yl)-3-butoxypropan-2-ol (PubChem CID 107264251) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 1-(3-amino-4-methylpyrrolidin-1-yl)-3-butoxypropan-2-ol.

Molecular Properties

Compound Name1-(3-amino-4-methylpyrrolidin-1-yl)-3-butoxypropan-2-ol
PubChem CID107264251
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Name1-(3-amino-4-methylpyrrolidin-1-yl)-3-butoxypropan-2-ol
SMILESCCCCOCC(O)CN1CC(C)C(N)C1
InChIInChI=1S/C12H26N2O2/c1-3-4-5-16-9-11(15)7-14-6-10(2)12(13)8-14/h10-12,15H,3-9,13H2,1-2H3
InChIKeyATTAQLKTOBMBPU-UHFFFAOYSA-N
XLogP0.44
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(3-amino-4-methylpyrrolidin-1-yl)-3-butoxypropan-2-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

1-butoxy-3-[(3S)-3-methylpiperazin-1-yl]propan-2-ol
CID 107264245
1-(3,4-dimethylpyrrolidin-1-yl)-3-ethoxypropan-2-ol
CID 79038151
1-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-3-butoxypropan-2-ol
CID 107263746
1-butoxy-3-[4-(1-hydroxyethyl)piperidin-1-yl]propan-2-ol
CID 107264000
1-butoxy-3-(4-propylpiperazin-1-yl)propan-2-ol
CID 107263711
butyl 2-(3-amino-4-methylpyrrolidin-1-yl)acetate
CID 103576801
1-(3-butoxy-2-hydroxypropyl)piperidine-4-carbaldehyde
CID 107264386
1-butoxy-3-[3-(dimethylamino)piperidin-1-yl]propan-2-ol
CID 107263914
1-butoxy-3-[3-(methylaminomethyl)pyrrolidin-1-yl]propan-2-ol
CID 107264166
1-butoxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol;dihydrochloride
CID 16958263
1-[2-(aminomethyl)-3-methylpiperidin-1-yl]-3-butoxypropan-2-ol
CID 107264176
1-(2-ethylhexyl)-4-methylpyrrolidin-3-amine
CID 103576746

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-4-methylpyrrolidin-1-yl)-3-butoxypropan-2-ol?
The IUPAC name of 1-(3-amino-4-methylpyrrolidin-1-yl)-3-butoxypropan-2-ol (CID 107264251) is 1-(3-amino-4-methylpyrrolidin-1-yl)-3-butoxypropan-2-ol.
What is the SMILES notation for 1-(3-amino-4-methylpyrrolidin-1-yl)-3-butoxypropan-2-ol?
The canonical SMILES for 1-(3-amino-4-methylpyrrolidin-1-yl)-3-butoxypropan-2-ol is CCCCOCC(O)CN1CC(C)C(N)C1.
What is the InChIKey of 1-(3-amino-4-methylpyrrolidin-1-yl)-3-butoxypropan-2-ol?
The InChIKey is ATTAQLKTOBMBPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-3-4-5-16-9-11(15)7-14-6-10(2)12(13)8-14/h10-12,15H,3-9,13H2,1-2H3.
What are the key properties of 1-(3-amino-4-methylpyrrolidin-1-yl)-3-butoxypropan-2-ol?
1-(3-amino-4-methylpyrrolidin-1-yl)-3-butoxypropan-2-ol has a molecular weight of 230.35 g/mol, XLogP of 0.44, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-4-methylpyrrolidin-1-yl)-3-butoxypropan-2-ol is sourced from PubChem (CID 107264251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).