1-cyclopentyloxy-3-(octan-4-ylamino)propan-2-ol

C16H33NO2 — CID 106024420

IUPAC1-cyclopentyloxy-3-(octan-4-ylamino)propan-2-ol
SMILESCCCCC(CCC)NCC(O)COC1CCCC1
InChIInChI=1S/C16H33NO2/c1-3-5-9-14(8-4-2)17-12-15(18)13-19-16-10-6-7-11-16/h14-18H,3-13H2,1-2H3
InChIKeyBDWLLXXFMUDKDG-UHFFFAOYSA-N
MW271.44 g/mol
LogP3.26
Rot. Bonds11

About 1-cyclopentyloxy-3-(octan-4-ylamino)propan-2-ol

1-cyclopentyloxy-3-(octan-4-ylamino)propan-2-ol (PubChem CID 106024420) has the molecular formula C16H33NO2 and a molecular weight of 271.44 g/mol. Its IUPAC name is 1-cyclopentyloxy-3-(octan-4-ylamino)propan-2-ol.

Molecular Properties

Compound Name1-cyclopentyloxy-3-(octan-4-ylamino)propan-2-ol
PubChem CID106024420
Molecular FormulaC16H33NO2
Molecular Weight271.44 g/mol
Exact Mass271.25
IUPAC Name1-cyclopentyloxy-3-(octan-4-ylamino)propan-2-ol
SMILESCCCCC(CCC)NCC(O)COC1CCCC1
InChIInChI=1S/C16H33NO2/c1-3-5-9-14(8-4-2)17-12-15(18)13-19-16-10-6-7-11-16/h14-18H,3-13H2,1-2H3
InChIKeyBDWLLXXFMUDKDG-UHFFFAOYSA-N
XLogP3.26
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.44
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methylcyclohexyl)oxy-3-(octan-4-ylamino)propan-2-ol
CID 106024955
1-cyclohexyloxy-3-(hexan-2-ylamino)propan-2-ol
CID 55049964
1-(butylamino)-3-cycloheptyloxypropan-2-ol
CID 3055663
1-(hexan-2-ylamino)-3-(4-methylcyclohexyl)oxypropan-2-ol
CID 62200592
3-[(3-cyclohexyloxy-2-hydroxypropyl)amino]-4-methoxybutan-1-ol
CID 106159619
1-(2-ethylcyclohexyl)oxy-3-(hexan-3-ylamino)propan-2-ol
CID 62119486
ethyl 2-[(3-cyclopentyloxy-2-hydroxypropyl)amino]propanoate
CID 54960187
3-[(3-cyclohexyloxy-2-hydroxypropyl)amino]butan-1-ol
CID 83178126
ethyl 2-[(3-cyclohexyloxy-2-hydroxypropyl)amino]propanoate
CID 61499198
1-cycloheptyloxy-N-ethylpentan-2-amine
CID 62042563
1-[[(1S)-1-cycloheptylethyl]amino]-3-cyclopentyloxypropan-2-ol
CID 81391866
1-cyclopentyloxy-N-methylpentan-2-amine
CID 62042118

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyloxy-3-(octan-4-ylamino)propan-2-ol?
The IUPAC name of 1-cyclopentyloxy-3-(octan-4-ylamino)propan-2-ol (CID 106024420) is 1-cyclopentyloxy-3-(octan-4-ylamino)propan-2-ol.
What is the SMILES notation for 1-cyclopentyloxy-3-(octan-4-ylamino)propan-2-ol?
The canonical SMILES for 1-cyclopentyloxy-3-(octan-4-ylamino)propan-2-ol is CCCCC(CCC)NCC(O)COC1CCCC1.
What is the InChIKey of 1-cyclopentyloxy-3-(octan-4-ylamino)propan-2-ol?
The InChIKey is BDWLLXXFMUDKDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO2/c1-3-5-9-14(8-4-2)17-12-15(18)13-19-16-10-6-7-11-16/h14-18H,3-13H2,1-2H3.
What are the key properties of 1-cyclopentyloxy-3-(octan-4-ylamino)propan-2-ol?
1-cyclopentyloxy-3-(octan-4-ylamino)propan-2-ol has a molecular weight of 271.44 g/mol, XLogP of 3.26, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyloxy-3-(octan-4-ylamino)propan-2-ol is sourced from PubChem (CID 106024420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).