1-[[(1R)-1-cyclopentylethyl]amino]-3-(4-methylpentan-2-yloxy)propan-2-ol

C16H33NO2 — CID 81396507

IUPAC1-[[(1R)-1-cyclopentylethyl]amino]-3-(4-methylpentan-2-yloxy)propan-2-ol
SMILESCC(C)CC(C)OCC(O)CN[C@H](C)C1CCCC1
InChIInChI=1S/C16H33NO2/c1-12(2)9-13(3)19-11-16(18)10-17-14(4)15-7-5-6-8-15/h12-18H,5-11H2,1-4H3/t13?,14-,16?/m1/s1
InChIKeyINPWBQCIGBYJDA-NPCAHTBFSA-N
MW271.44 g/mol
LogP2.97
Rot. Bonds9

About 1-[[(1R)-1-cyclopentylethyl]amino]-3-(4-methylpentan-2-yloxy)propan-2-ol

1-[[(1R)-1-cyclopentylethyl]amino]-3-(4-methylpentan-2-yloxy)propan-2-ol (PubChem CID 81396507) has the molecular formula C16H33NO2 and a molecular weight of 271.44 g/mol. Its IUPAC name is 1-[[(1R)-1-cyclopentylethyl]amino]-3-(4-methylpentan-2-yloxy)propan-2-ol.

Molecular Properties

Compound Name1-[[(1R)-1-cyclopentylethyl]amino]-3-(4-methylpentan-2-yloxy)propan-2-ol
PubChem CID81396507
Molecular FormulaC16H33NO2
Molecular Weight271.44 g/mol
Exact Mass271.25
IUPAC Name1-[[(1R)-1-cyclopentylethyl]amino]-3-(4-methylpentan-2-yloxy)propan-2-ol
SMILESCC(C)CC(C)OCC(O)CN[C@H](C)C1CCCC1
InChIInChI=1S/C16H33NO2/c1-12(2)9-13(3)19-11-16(18)10-17-14(4)15-7-5-6-8-15/h12-18H,5-11H2,1-4H3/t13?,14-,16?/m1/s1
InChIKeyINPWBQCIGBYJDA-NPCAHTBFSA-N
XLogP2.97
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.44
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[[(1R)-1-cyclopentylethyl]amino]-3-(4-methylpentan-2-yloxy)propan-2-ol with MolForge

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Related Compounds

1-[[(1R)-1-cyclohexylethyl]amino]-3-propan-2-yloxypropan-2-ol
CID 81385135
1-(1-cyclohexylpropylamino)-3-(4-methylpentan-2-yloxy)propan-2-ol
CID 62405754
1-[[(1S)-1-cycloheptylethyl]amino]-3-cyclopentyloxypropan-2-ol
CID 81391866
1-(1-cyclohexylethylamino)-3-(2-methylcyclohexyl)oxypropan-2-ol
CID 62406813
1-[[(1S)-1-cyclohexylethyl]amino]-3-(2-methylcyclohexyl)oxypropan-2-ol
CID 81388573
3-(1-cyclopentylethylamino)propane-1,2-diol
CID 66177375
1-(1-cyclohexylethylamino)-3-(cyclopropylmethoxy)propan-2-ol
CID 55069456
N-cyclopropyl-2-[[2-hydroxy-3-(4-methylpentan-2-yloxy)propyl]amino]acetamide
CID 54938876
4-[[2-hydroxy-3-(4-methylpentan-2-yloxy)propyl]amino]pentan-2-ol
CID 113376237
1-cyclopentyl-3-(1-cyclopentylethylamino)propan-2-ol
CID 103157832
1-[[(1S)-1-cycloheptylethyl]amino]-3-(2-ethoxyethoxy)propan-2-ol
CID 81393423
1-butoxy-3-[[(1R)-1-cycloheptylethyl]amino]propan-2-ol
CID 107262975

Frequently Asked Questions

What is the IUPAC name of 1-[[(1R)-1-cyclopentylethyl]amino]-3-(4-methylpentan-2-yloxy)propan-2-ol?
The IUPAC name of 1-[[(1R)-1-cyclopentylethyl]amino]-3-(4-methylpentan-2-yloxy)propan-2-ol (CID 81396507) is 1-[[(1R)-1-cyclopentylethyl]amino]-3-(4-methylpentan-2-yloxy)propan-2-ol.
What is the SMILES notation for 1-[[(1R)-1-cyclopentylethyl]amino]-3-(4-methylpentan-2-yloxy)propan-2-ol?
The canonical SMILES for 1-[[(1R)-1-cyclopentylethyl]amino]-3-(4-methylpentan-2-yloxy)propan-2-ol is CC(C)CC(C)OCC(O)CN[C@H](C)C1CCCC1.
What is the InChIKey of 1-[[(1R)-1-cyclopentylethyl]amino]-3-(4-methylpentan-2-yloxy)propan-2-ol?
The InChIKey is INPWBQCIGBYJDA-NPCAHTBFSA-N. The full InChI is InChI=1S/C16H33NO2/c1-12(2)9-13(3)19-11-16(18)10-17-14(4)15-7-5-6-8-15/h12-18H,5-11H2,1-4H3/t13?,14-,16?/m1/s1.
What are the key properties of 1-[[(1R)-1-cyclopentylethyl]amino]-3-(4-methylpentan-2-yloxy)propan-2-ol?
1-[[(1R)-1-cyclopentylethyl]amino]-3-(4-methylpentan-2-yloxy)propan-2-ol has a molecular weight of 271.44 g/mol, XLogP of 2.97, 9 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-(4-methylpentan-2-yloxy)propan-2-ol is sourced from PubChem (CID 81396507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).