1-[[(1S)-1-cycloheptylethyl]amino]-3-cyclopentyloxypropan-2-ol

C17H33NO2 — CID 81391866

IUPAC1-[[(1S)-1-cycloheptylethyl]amino]-3-cyclopentyloxypropan-2-ol
SMILESC[C@H](NCC(O)COC1CCCC1)C1CCCCCC1
InChIInChI=1S/C17H33NO2/c1-14(15-8-4-2-3-5-9-15)18-12-16(19)13-20-17-10-6-7-11-17/h14-19H,2-13H2,1H3/t14-,16?/m0/s1
InChIKeyJLPFNQIGFCPUQB-LBAUFKAWSA-N
MW283.46 g/mol
LogP3.26
Rot. Bonds7

About 1-[[(1S)-1-cycloheptylethyl]amino]-3-cyclopentyloxypropan-2-ol

1-[[(1S)-1-cycloheptylethyl]amino]-3-cyclopentyloxypropan-2-ol (PubChem CID 81391866) has the molecular formula C17H33NO2 and a molecular weight of 283.46 g/mol. Its IUPAC name is 1-[[(1S)-1-cycloheptylethyl]amino]-3-cyclopentyloxypropan-2-ol.

Molecular Properties

Compound Name1-[[(1S)-1-cycloheptylethyl]amino]-3-cyclopentyloxypropan-2-ol
PubChem CID81391866
Molecular FormulaC17H33NO2
Molecular Weight283.46 g/mol
Exact Mass283.25
IUPAC Name1-[[(1S)-1-cycloheptylethyl]amino]-3-cyclopentyloxypropan-2-ol
SMILESC[C@H](NCC(O)COC1CCCC1)C1CCCCCC1
InChIInChI=1S/C17H33NO2/c1-14(15-8-4-2-3-5-9-15)18-12-16(19)13-20-17-10-6-7-11-17/h14-19H,2-13H2,1H3/t14-,16?/m0/s1
InChIKeyJLPFNQIGFCPUQB-LBAUFKAWSA-N
XLogP3.26
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 ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[[(1S)-1-cycloheptylethyl]amino]-3-cyclopentyloxypropan-2-ol with MolForge

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Related Compounds

1-[[(1R)-1-cyclopentylethyl]amino]-3-(3-methylcyclohexyl)oxypropan-2-ol
CID 81394530
1-[[(1R)-1-cyclohexylethyl]amino]-3-propan-2-yloxypropan-2-ol
CID 81385135
1-(1-cyclohexylethylamino)-3-(2-methylcyclohexyl)oxypropan-2-ol
CID 62406813
1-[[(1S)-1-cyclohexylethyl]amino]-3-(2-methylcyclohexyl)oxypropan-2-ol
CID 81388573
1-[[(1R)-1-cyclopentylethyl]amino]-3-(4-methylpentan-2-yloxy)propan-2-ol
CID 81396507
3-[(3-cyclohexyloxy-2-hydroxypropyl)amino]butan-1-ol
CID 83178126
1-(1-cyclohexylethylamino)-3-(cyclopropylmethoxy)propan-2-ol
CID 55069456
1-butoxy-3-[[(1R)-1-cycloheptylethyl]amino]propan-2-ol
CID 107262975
1-[[(1S)-1-cycloheptylethyl]amino]-3-(2-ethoxyethoxy)propan-2-ol
CID 81393423
1-cyclohexyloxy-3-(cyclopentylamino)propan-2-ol;hydrochloride
CID 44782577
1-(cyclobutylamino)-3-cyclohexyloxypropan-2-ol
CID 62414367
1-[[(1R)-1-cyclopentylethyl]amino]-3-hexoxypropan-2-ol
CID 81395639

Frequently Asked Questions

What is the IUPAC name of 1-[[(1S)-1-cycloheptylethyl]amino]-3-cyclopentyloxypropan-2-ol?
The IUPAC name of 1-[[(1S)-1-cycloheptylethyl]amino]-3-cyclopentyloxypropan-2-ol (CID 81391866) is 1-[[(1S)-1-cycloheptylethyl]amino]-3-cyclopentyloxypropan-2-ol.
What is the SMILES notation for 1-[[(1S)-1-cycloheptylethyl]amino]-3-cyclopentyloxypropan-2-ol?
The canonical SMILES for 1-[[(1S)-1-cycloheptylethyl]amino]-3-cyclopentyloxypropan-2-ol is C[C@H](NCC(O)COC1CCCC1)C1CCCCCC1.
What is the InChIKey of 1-[[(1S)-1-cycloheptylethyl]amino]-3-cyclopentyloxypropan-2-ol?
The InChIKey is JLPFNQIGFCPUQB-LBAUFKAWSA-N. The full InChI is InChI=1S/C17H33NO2/c1-14(15-8-4-2-3-5-9-15)18-12-16(19)13-20-17-10-6-7-11-17/h14-19H,2-13H2,1H3/t14-,16?/m0/s1.
What are the key properties of 1-[[(1S)-1-cycloheptylethyl]amino]-3-cyclopentyloxypropan-2-ol?
1-[[(1S)-1-cycloheptylethyl]amino]-3-cyclopentyloxypropan-2-ol has a molecular weight of 283.46 g/mol, XLogP of 3.26, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1S)-1-cycloheptylethyl]amino]-3-cyclopentyloxypropan-2-ol is sourced from PubChem (CID 81391866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).