1-cyclohexyloxy-3-(hexan-2-ylamino)propan-2-ol

C15H31NO2 — CID 55049964

IUPAC1-cyclohexyloxy-3-(hexan-2-ylamino)propan-2-ol
SMILESCCCCC(C)NCC(O)COC1CCCCC1
InChIInChI=1S/C15H31NO2/c1-3-4-8-13(2)16-11-14(17)12-18-15-9-6-5-7-10-15/h13-17H,3-12H2,1-2H3
InChIKeyUQBCDWZDQYPKTJ-UHFFFAOYSA-N
MW257.42 g/mol
LogP2.86
Rot. Bonds9

About 1-cyclohexyloxy-3-(hexan-2-ylamino)propan-2-ol

1-cyclohexyloxy-3-(hexan-2-ylamino)propan-2-ol (PubChem CID 55049964) has the molecular formula C15H31NO2 and a molecular weight of 257.42 g/mol. Its IUPAC name is 1-cyclohexyloxy-3-(hexan-2-ylamino)propan-2-ol.

Molecular Properties

Compound Name1-cyclohexyloxy-3-(hexan-2-ylamino)propan-2-ol
PubChem CID55049964
Molecular FormulaC15H31NO2
Molecular Weight257.42 g/mol
Exact Mass257.24
IUPAC Name1-cyclohexyloxy-3-(hexan-2-ylamino)propan-2-ol
SMILESCCCCC(C)NCC(O)COC1CCCCC1
InChIInChI=1S/C15H31NO2/c1-3-4-8-13(2)16-11-14(17)12-18-15-9-6-5-7-10-15/h13-17H,3-12H2,1-2H3
InChIKeyUQBCDWZDQYPKTJ-UHFFFAOYSA-N
XLogP2.86
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(hexan-2-ylamino)-3-(4-methylcyclohexyl)oxypropan-2-ol
CID 62200592
3-[(3-cyclohexyloxy-2-hydroxypropyl)amino]butan-1-ol
CID 83178126
1-cyclopentyloxy-3-(octan-4-ylamino)propan-2-ol
CID 106024420
1-(2-ethylcyclohexyl)oxy-3-(hexan-2-ylamino)propan-2-ol
CID 62200593
1-cyclopentyloxy-3-[4-(dimethylamino)butan-2-ylamino]propan-2-ol
CID 54963637
1-(butylamino)-3-cycloheptyloxypropan-2-ol
CID 3055663
1-(3-methylcyclohexyl)oxy-3-(pentan-2-ylamino)propan-2-ol
CID 60634369
1-(4-methylcyclohexyl)oxy-3-(5-methylhexan-2-ylamino)propan-2-ol
CID 60634451
ethyl 2-[(3-cyclohexyloxy-2-hydroxypropyl)amino]propanoate
CID 61499198
1-[[(1S)-1-cycloheptylethyl]amino]-3-cyclopentyloxypropan-2-ol
CID 81391866
1-(hexan-2-ylamino)-3-methoxypropan-2-ol
CID 63929255
ethyl 2-[(3-cyclopentyloxy-2-hydroxypropyl)amino]propanoate
CID 54960187

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyloxy-3-(hexan-2-ylamino)propan-2-ol?
The IUPAC name of 1-cyclohexyloxy-3-(hexan-2-ylamino)propan-2-ol (CID 55049964) is 1-cyclohexyloxy-3-(hexan-2-ylamino)propan-2-ol.
What is the SMILES notation for 1-cyclohexyloxy-3-(hexan-2-ylamino)propan-2-ol?
The canonical SMILES for 1-cyclohexyloxy-3-(hexan-2-ylamino)propan-2-ol is CCCCC(C)NCC(O)COC1CCCCC1.
What is the InChIKey of 1-cyclohexyloxy-3-(hexan-2-ylamino)propan-2-ol?
The InChIKey is UQBCDWZDQYPKTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO2/c1-3-4-8-13(2)16-11-14(17)12-18-15-9-6-5-7-10-15/h13-17H,3-12H2,1-2H3.
What are the key properties of 1-cyclohexyloxy-3-(hexan-2-ylamino)propan-2-ol?
1-cyclohexyloxy-3-(hexan-2-ylamino)propan-2-ol has a molecular weight of 257.42 g/mol, XLogP of 2.86, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyloxy-3-(hexan-2-ylamino)propan-2-ol is sourced from PubChem (CID 55049964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).