2-[[(3-hexoxy-2-hydroxypropyl)amino]methyl]cyclohexan-1-ol

C16H33NO3 — CID 64910739

IUPAC2-[[(3-hexoxy-2-hydroxypropyl)amino]methyl]cyclohexan-1-ol
SMILESCCCCCCOCC(O)CNCC1CCCCC1O
InChIInChI=1S/C16H33NO3/c1-2-3-4-7-10-20-13-15(18)12-17-11-14-8-5-6-9-16(14)19/h14-19H,2-13H2,1H3
InChIKeyMPDKOWHXBWOAHS-UHFFFAOYSA-N
MW287.44 g/mol
LogP2.08
Rot. Bonds11

About 2-[[(3-hexoxy-2-hydroxypropyl)amino]methyl]cyclohexan-1-ol

2-[[(3-hexoxy-2-hydroxypropyl)amino]methyl]cyclohexan-1-ol (PubChem CID 64910739) has the molecular formula C16H33NO3 and a molecular weight of 287.44 g/mol. Its IUPAC name is 2-[[(3-hexoxy-2-hydroxypropyl)amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[[(3-hexoxy-2-hydroxypropyl)amino]methyl]cyclohexan-1-ol
PubChem CID64910739
Molecular FormulaC16H33NO3
Molecular Weight287.44 g/mol
Exact Mass287.25
IUPAC Name2-[[(3-hexoxy-2-hydroxypropyl)amino]methyl]cyclohexan-1-ol
SMILESCCCCCCOCC(O)CNCC1CCCCC1O
InChIInChI=1S/C16H33NO3/c1-2-3-4-7-10-20-13-15(18)12-17-11-14-8-5-6-9-16(14)19/h14-19H,2-13H2,1H3
InChIKeyMPDKOWHXBWOAHS-UHFFFAOYSA-N
XLogP2.08
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.44
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2-butoxyethoxy)-3-[(2-methylcyclopentyl)methylamino]propan-2-ol
CID 107417945
1-(cyclooctylamino)-3-hexoxypropan-2-ol
CID 60635229
(2R)-1-[2-[[(2S)-2-hydroxy-3-pentoxypropyl]amino]ethylamino]-3-pentoxypropan-2-ol
CID 92765334
1-pentoxy-3-(propylamino)propan-2-ol
CID 43275105
1-[(1-ethylpyrrolidin-3-yl)methylamino]-3-hexoxypropan-2-ol
CID 60909796
1-(cyclobutylamino)-3-hexoxypropan-2-ol
CID 62415937
1-[[(1R)-1-cyclopentylethyl]amino]-3-hexoxypropan-2-ol
CID 81395639
2-ethyl-2-[[(3-hexoxy-2-hydroxypropyl)amino]methyl]butan-1-ol
CID 106255999
3-[(3-hexoxy-2-hydroxypropyl)amino]-2,2-dimethylpropanamide
CID 106276376
4-[[(3-butoxy-2-hydroxypropyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 107263614
1-[(2-methylcyclohexyl)amino]-3-octoxypropan-2-ol
CID 60632322
1-(3-ethoxypropylamino)-3-octoxypropan-2-ol
CID 60634251

Frequently Asked Questions

What is the IUPAC name of 2-[[(3-hexoxy-2-hydroxypropyl)amino]methyl]cyclohexan-1-ol?
The IUPAC name of 2-[[(3-hexoxy-2-hydroxypropyl)amino]methyl]cyclohexan-1-ol (CID 64910739) is 2-[[(3-hexoxy-2-hydroxypropyl)amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 2-[[(3-hexoxy-2-hydroxypropyl)amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 2-[[(3-hexoxy-2-hydroxypropyl)amino]methyl]cyclohexan-1-ol is CCCCCCOCC(O)CNCC1CCCCC1O.
What is the InChIKey of 2-[[(3-hexoxy-2-hydroxypropyl)amino]methyl]cyclohexan-1-ol?
The InChIKey is MPDKOWHXBWOAHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO3/c1-2-3-4-7-10-20-13-15(18)12-17-11-14-8-5-6-9-16(14)19/h14-19H,2-13H2,1H3.
What are the key properties of 2-[[(3-hexoxy-2-hydroxypropyl)amino]methyl]cyclohexan-1-ol?
2-[[(3-hexoxy-2-hydroxypropyl)amino]methyl]cyclohexan-1-ol has a molecular weight of 287.44 g/mol, XLogP of 2.08, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3-hexoxy-2-hydroxypropyl)amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 64910739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).