1-[[(1R)-1-cyclopentylethyl]amino]-3-(3-methylcyclohexyl)oxypropan-2-ol

C17H33NO2 — CID 81394530

IUPAC1-[[(1R)-1-cyclopentylethyl]amino]-3-(3-methylcyclohexyl)oxypropan-2-ol
SMILESCC1CCCC(OCC(O)CN[C@H](C)C2CCCC2)C1
InChIInChI=1S/C17H33NO2/c1-13-6-5-9-17(10-13)20-12-16(19)11-18-14(2)15-7-3-4-8-15/h13-19H,3-12H2,1-2H3/t13?,14-,16?,17?/m1/s1
InChIKeyWNABDFHKFFKZNT-FBZFNHGYSA-N
MW283.46 g/mol
LogP3.11
Rot. Bonds7

About 1-[[(1R)-1-cyclopentylethyl]amino]-3-(3-methylcyclohexyl)oxypropan-2-ol

1-[[(1R)-1-cyclopentylethyl]amino]-3-(3-methylcyclohexyl)oxypropan-2-ol (PubChem CID 81394530) has the molecular formula C17H33NO2 and a molecular weight of 283.46 g/mol. Its IUPAC name is 1-[[(1R)-1-cyclopentylethyl]amino]-3-(3-methylcyclohexyl)oxypropan-2-ol.

Molecular Properties

Compound Name1-[[(1R)-1-cyclopentylethyl]amino]-3-(3-methylcyclohexyl)oxypropan-2-ol
PubChem CID81394530
Molecular FormulaC17H33NO2
Molecular Weight283.46 g/mol
Exact Mass283.25
IUPAC Name1-[[(1R)-1-cyclopentylethyl]amino]-3-(3-methylcyclohexyl)oxypropan-2-ol
SMILESCC1CCCC(OCC(O)CN[C@H](C)C2CCCC2)C1
InChIInChI=1S/C17H33NO2/c1-13-6-5-9-17(10-13)20-12-16(19)11-18-14(2)15-7-3-4-8-15/h13-19H,3-12H2,1-2H3/t13?,14-,16?,17?/m1/s1
InChIKeyWNABDFHKFFKZNT-FBZFNHGYSA-N
XLogP3.11
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[[(1R)-1-cyclopentylethyl]amino]-3-(3-methylcyclohexyl)oxypropan-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-[[(1S)-1-cycloheptylethyl]amino]-3-cyclopentyloxypropan-2-ol
CID 81391866
1-(3-methylcyclohexyl)oxy-3-(pentan-2-ylamino)propan-2-ol
CID 60634369
1-(2-hydroxypropylamino)-3-(3-methylcyclohexyl)oxypropan-2-ol
CID 60634608
2-[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]propanamide
CID 54938859
3-[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]-4-methylpentan-1-ol
CID 104891895
1-(3-methylcyclohexyl)oxy-3-(2-propan-2-yloxyethylamino)propan-2-ol
CID 104760159
1-(ethylamino)-3-(3-methylcyclohexyl)oxypropan-2-ol
CID 43166266
1-(2-cyclopentyloxyethylamino)-3-(3-methylcyclohexyl)oxypropan-2-ol
CID 63828739
1-[[(1S)-1-cyclohexylethyl]amino]-3-(2-methylcyclohexyl)oxypropan-2-ol
CID 81388573
1-(1-cyclohexylethylamino)-3-(2-methylcyclohexyl)oxypropan-2-ol
CID 62406813
3-[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]-4-methoxybutan-1-ol
CID 106159746
2-[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]-2-methylpropanamide
CID 61219988

Frequently Asked Questions

What is the IUPAC name of 1-[[(1R)-1-cyclopentylethyl]amino]-3-(3-methylcyclohexyl)oxypropan-2-ol?
The IUPAC name of 1-[[(1R)-1-cyclopentylethyl]amino]-3-(3-methylcyclohexyl)oxypropan-2-ol (CID 81394530) is 1-[[(1R)-1-cyclopentylethyl]amino]-3-(3-methylcyclohexyl)oxypropan-2-ol.
What is the SMILES notation for 1-[[(1R)-1-cyclopentylethyl]amino]-3-(3-methylcyclohexyl)oxypropan-2-ol?
The canonical SMILES for 1-[[(1R)-1-cyclopentylethyl]amino]-3-(3-methylcyclohexyl)oxypropan-2-ol is CC1CCCC(OCC(O)CN[C@H](C)C2CCCC2)C1.
What is the InChIKey of 1-[[(1R)-1-cyclopentylethyl]amino]-3-(3-methylcyclohexyl)oxypropan-2-ol?
The InChIKey is WNABDFHKFFKZNT-FBZFNHGYSA-N. The full InChI is InChI=1S/C17H33NO2/c1-13-6-5-9-17(10-13)20-12-16(19)11-18-14(2)15-7-3-4-8-15/h13-19H,3-12H2,1-2H3/t13?,14-,16?,17?/m1/s1.
What are the key properties of 1-[[(1R)-1-cyclopentylethyl]amino]-3-(3-methylcyclohexyl)oxypropan-2-ol?
1-[[(1R)-1-cyclopentylethyl]amino]-3-(3-methylcyclohexyl)oxypropan-2-ol has a molecular weight of 283.46 g/mol, XLogP of 3.11, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1R)-1-cyclopentylethyl]amino]-3-(3-methylcyclohexyl)oxypropan-2-ol is sourced from PubChem (CID 81394530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).