1-(cyclooctylamino)-3-(2-methylpropoxy)propan-2-ol

C15H31NO2 — CID 60635542

IUPAC1-(cyclooctylamino)-3-(2-methylpropoxy)propan-2-ol
SMILESCC(C)COCC(O)CNC1CCCCCCC1
InChIInChI=1S/C15H31NO2/c1-13(2)11-18-12-15(17)10-16-14-8-6-4-3-5-7-9-14/h13-17H,3-12H2,1-2H3
InChIKeyDAHYUFALQZQKFU-UHFFFAOYSA-N
MW257.42 g/mol
LogP2.72
Rot. Bonds7

About 1-(cyclooctylamino)-3-(2-methylpropoxy)propan-2-ol

1-(cyclooctylamino)-3-(2-methylpropoxy)propan-2-ol (PubChem CID 60635542) has the molecular formula C15H31NO2 and a molecular weight of 257.42 g/mol. Its IUPAC name is 1-(cyclooctylamino)-3-(2-methylpropoxy)propan-2-ol.

Molecular Properties

Compound Name1-(cyclooctylamino)-3-(2-methylpropoxy)propan-2-ol
PubChem CID60635542
Molecular FormulaC15H31NO2
Molecular Weight257.42 g/mol
Exact Mass257.24
IUPAC Name1-(cyclooctylamino)-3-(2-methylpropoxy)propan-2-ol
SMILESCC(C)COCC(O)CNC1CCCCCCC1
InChIInChI=1S/C15H31NO2/c1-13(2)11-18-12-15(17)10-16-14-8-6-4-3-5-7-9-14/h13-17H,3-12H2,1-2H3
InChIKeyDAHYUFALQZQKFU-UHFFFAOYSA-N
XLogP2.72
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cycloheptylamino)-3-ethoxypropan-2-ol
CID 63933573
1-(cyclohexylamino)-3-propan-2-yloxypropan-2-ol
CID 60633332
1-(cyclobutylamino)-3-cyclohexyloxypropan-2-ol
CID 62414367
1-cyclohexyloxy-3-(cyclopentylamino)propan-2-ol;hydrochloride
CID 44782577
4-[[2-hydroxy-3-(2-methylpropoxy)propyl]amino]cyclohexane-1-carboxamide
CID 54913944
1-(2-butoxyethoxy)-3-(cyclohexylamino)propan-2-ol
CID 60633253
1-(cyclooctylamino)-3-hexoxypropan-2-ol
CID 60635229
(2S)-1-(cyclohexylamino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 8741576
1-(2-butoxyethoxy)-3-(cyclopentylamino)propan-2-ol
CID 60635270
1-(cyclopropylamino)-3-ethoxypropan-2-ol
CID 43166145
1-(cycloheptylamino)propan-2-ol
CID 43392225
1-(cyclooctylamino)propan-2-ol
CID 20539535

Frequently Asked Questions

What is the IUPAC name of 1-(cyclooctylamino)-3-(2-methylpropoxy)propan-2-ol?
The IUPAC name of 1-(cyclooctylamino)-3-(2-methylpropoxy)propan-2-ol (CID 60635542) is 1-(cyclooctylamino)-3-(2-methylpropoxy)propan-2-ol.
What is the SMILES notation for 1-(cyclooctylamino)-3-(2-methylpropoxy)propan-2-ol?
The canonical SMILES for 1-(cyclooctylamino)-3-(2-methylpropoxy)propan-2-ol is CC(C)COCC(O)CNC1CCCCCCC1.
What is the InChIKey of 1-(cyclooctylamino)-3-(2-methylpropoxy)propan-2-ol?
The InChIKey is DAHYUFALQZQKFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO2/c1-13(2)11-18-12-15(17)10-16-14-8-6-4-3-5-7-9-14/h13-17H,3-12H2,1-2H3.
What are the key properties of 1-(cyclooctylamino)-3-(2-methylpropoxy)propan-2-ol?
1-(cyclooctylamino)-3-(2-methylpropoxy)propan-2-ol has a molecular weight of 257.42 g/mol, XLogP of 2.72, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclooctylamino)-3-(2-methylpropoxy)propan-2-ol is sourced from PubChem (CID 60635542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).