2-[[(3-cyclopentyloxy-2-hydroxypropyl)amino]methyl]-2-ethylbutan-1-ol

C15H31NO3 — CID 106255989

IUPAC2-[[(3-cyclopentyloxy-2-hydroxypropyl)amino]methyl]-2-ethylbutan-1-ol
SMILESCCC(CC)(CO)CNCC(O)COC1CCCC1
InChIInChI=1S/C15H31NO3/c1-3-15(4-2,12-17)11-16-9-13(18)10-19-14-7-5-6-8-14/h13-14,16-18H,3-12H2,1-2H3
InChIKeyBNQZXGGBKKPZNN-UHFFFAOYSA-N
MW273.42 g/mol
LogP1.69
Rot. Bonds10

About 2-[[(3-cyclopentyloxy-2-hydroxypropyl)amino]methyl]-2-ethylbutan-1-ol

2-[[(3-cyclopentyloxy-2-hydroxypropyl)amino]methyl]-2-ethylbutan-1-ol (PubChem CID 106255989) has the molecular formula C15H31NO3 and a molecular weight of 273.42 g/mol. Its IUPAC name is 2-[[(3-cyclopentyloxy-2-hydroxypropyl)amino]methyl]-2-ethylbutan-1-ol.

Molecular Properties

Compound Name2-[[(3-cyclopentyloxy-2-hydroxypropyl)amino]methyl]-2-ethylbutan-1-ol
PubChem CID106255989
Molecular FormulaC15H31NO3
Molecular Weight273.42 g/mol
Exact Mass273.23
IUPAC Name2-[[(3-cyclopentyloxy-2-hydroxypropyl)amino]methyl]-2-ethylbutan-1-ol
SMILESCCC(CC)(CO)CNCC(O)COC1CCCC1
InChIInChI=1S/C15H31NO3/c1-3-15(4-2,12-17)11-16-9-13(18)10-19-14-7-5-6-8-14/h13-14,16-18H,3-12H2,1-2H3
InChIKeyBNQZXGGBKKPZNN-UHFFFAOYSA-N
XLogP1.69
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[[(3-cyclopentyloxy-2-hydroxypropyl)amino]methyl]-2-ethylbutan-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

3-[[(3-cyclopentyloxy-2-hydroxypropyl)amino]methyl]pentan-3-ol
CID 65111381
1-cyclopentyloxy-3-(2,2,2-trifluoroethylamino)propan-2-ol
CID 60632425
1-cyclopentyloxy-3-[(2-ethoxy-2-methylpropyl)amino]propan-2-ol
CID 114941871
1-cyclohexyloxy-3-[(2-methoxy-2-methylpropyl)amino]propan-2-ol
CID 104760353
1-[(3-cyclopentyloxy-2-hydroxypropyl)amino]-4,4-dimethylpentan-2-ol
CID 107152057
2-[[(3-ethoxy-2-hydroxypropyl)amino]methyl]-2-ethylbutan-1-ol
CID 106256034
1-[(3-cyclohexyloxy-2-hydroxypropyl)amino]-2-methylpentan-2-ol
CID 106292600
2-ethyl-2-[[(3-hexoxy-2-hydroxypropyl)amino]methyl]butan-1-ol
CID 106255999
1-cyclopentyloxy-3-(2-methoxypropylamino)propan-2-ol
CID 102697876
1-(butylamino)-3-cycloheptyloxypropan-2-ol
CID 3055663
1-cyclohexyloxy-3-(4-methylpentylamino)propan-2-ol
CID 60743809
1-cyclopentyloxy-3-(2-ethoxyethylamino)propan-2-ol
CID 60909932

Frequently Asked Questions

What is the IUPAC name of 2-[[(3-cyclopentyloxy-2-hydroxypropyl)amino]methyl]-2-ethylbutan-1-ol?
The IUPAC name of 2-[[(3-cyclopentyloxy-2-hydroxypropyl)amino]methyl]-2-ethylbutan-1-ol (CID 106255989) is 2-[[(3-cyclopentyloxy-2-hydroxypropyl)amino]methyl]-2-ethylbutan-1-ol.
What is the SMILES notation for 2-[[(3-cyclopentyloxy-2-hydroxypropyl)amino]methyl]-2-ethylbutan-1-ol?
The canonical SMILES for 2-[[(3-cyclopentyloxy-2-hydroxypropyl)amino]methyl]-2-ethylbutan-1-ol is CCC(CC)(CO)CNCC(O)COC1CCCC1.
What is the InChIKey of 2-[[(3-cyclopentyloxy-2-hydroxypropyl)amino]methyl]-2-ethylbutan-1-ol?
The InChIKey is BNQZXGGBKKPZNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO3/c1-3-15(4-2,12-17)11-16-9-13(18)10-19-14-7-5-6-8-14/h13-14,16-18H,3-12H2,1-2H3.
What are the key properties of 2-[[(3-cyclopentyloxy-2-hydroxypropyl)amino]methyl]-2-ethylbutan-1-ol?
2-[[(3-cyclopentyloxy-2-hydroxypropyl)amino]methyl]-2-ethylbutan-1-ol has a molecular weight of 273.42 g/mol, XLogP of 1.69, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3-cyclopentyloxy-2-hydroxypropyl)amino]methyl]-2-ethylbutan-1-ol is sourced from PubChem (CID 106255989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).