1-cyclopentyloxy-3-(2-methylpropylamino)propan-2-ol;hydrochloride

C12H26ClNO2 — CID 16958187

IUPAC1-cyclopentyloxy-3-(2-methylpropylamino)propan-2-ol;hydrochloride
SMILESCC(C)CNCC(O)COC1CCCC1.Cl
InChIInChI=1S/C12H25NO2.ClH/c1-10(2)7-13-8-11(14)9-15-12-5-3-4-6-12;/h10-14H,3-9H2,1-2H3;1H
InChIKeyHJMPIWMUNAVJLF-UHFFFAOYSA-N
MW251.80 g/mol
LogP1.97
Rot. Bonds7

About 1-cyclopentyloxy-3-(2-methylpropylamino)propan-2-ol;hydrochloride

1-cyclopentyloxy-3-(2-methylpropylamino)propan-2-ol;hydrochloride (PubChem CID 16958187) has the molecular formula C12H26ClNO2 and a molecular weight of 251.80 g/mol. Its IUPAC name is 1-cyclopentyloxy-3-(2-methylpropylamino)propan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-cyclopentyloxy-3-(2-methylpropylamino)propan-2-ol;hydrochloride
PubChem CID16958187
Molecular FormulaC12H26ClNO2
Molecular Weight251.80 g/mol
Exact Mass251.17
IUPAC Name1-cyclopentyloxy-3-(2-methylpropylamino)propan-2-ol;hydrochloride
SMILESCC(C)CNCC(O)COC1CCCC1.Cl
InChIInChI=1S/C12H25NO2.ClH/c1-10(2)7-13-8-11(14)9-15-12-5-3-4-6-12;/h10-14H,3-9H2,1-2H3;1H
InChIKeyHJMPIWMUNAVJLF-UHFFFAOYSA-N
XLogP1.97
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.80
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-cyclopentyloxy-3-(2-methylpropylamino)propan-2-ol;hydrochloride with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyloxy-3-(2-methylpropylamino)propan-2-ol;hydrochloride?
The IUPAC name of 1-cyclopentyloxy-3-(2-methylpropylamino)propan-2-ol;hydrochloride (CID 16958187) is 1-cyclopentyloxy-3-(2-methylpropylamino)propan-2-ol;hydrochloride.
What is the SMILES notation for 1-cyclopentyloxy-3-(2-methylpropylamino)propan-2-ol;hydrochloride?
The canonical SMILES for 1-cyclopentyloxy-3-(2-methylpropylamino)propan-2-ol;hydrochloride is CC(C)CNCC(O)COC1CCCC1.Cl.
What is the InChIKey of 1-cyclopentyloxy-3-(2-methylpropylamino)propan-2-ol;hydrochloride?
The InChIKey is HJMPIWMUNAVJLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2.ClH/c1-10(2)7-13-8-11(14)9-15-12-5-3-4-6-12;/h10-14H,3-9H2,1-2H3;1H.
What are the key properties of 1-cyclopentyloxy-3-(2-methylpropylamino)propan-2-ol;hydrochloride?
1-cyclopentyloxy-3-(2-methylpropylamino)propan-2-ol;hydrochloride has a molecular weight of 251.80 g/mol, XLogP of 1.97, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyloxy-3-(2-methylpropylamino)propan-2-ol;hydrochloride is sourced from PubChem (CID 16958187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).