1-(cyclohexylmethylamino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol

C14H29NO2 — CID 60633651

IUPAC1-(cyclohexylmethylamino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
SMILESCC(C)(C)OCC(O)CNCC1CCCCC1
InChIInChI=1S/C14H29NO2/c1-14(2,3)17-11-13(16)10-15-9-12-7-5-4-6-8-12/h12-13,15-16H,4-11H2,1-3H3
InChIKeyWGEDJVTUSWKSRM-UHFFFAOYSA-N
MW243.39 g/mol
LogP2.33
Rot. Bonds6

About 1-(cyclohexylmethylamino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol

1-(cyclohexylmethylamino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol (PubChem CID 60633651) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is 1-(cyclohexylmethylamino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol.

Molecular Properties

Compound Name1-(cyclohexylmethylamino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
PubChem CID60633651
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC Name1-(cyclohexylmethylamino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
SMILESCC(C)(C)OCC(O)CNCC1CCCCC1
InChIInChI=1S/C14H29NO2/c1-14(2,3)17-11-13(16)10-15-9-12-7-5-4-6-8-12/h12-13,15-16H,4-11H2,1-3H3
InChIKeyWGEDJVTUSWKSRM-UHFFFAOYSA-N
XLogP2.33
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-cyclohexylethylamino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 54932851
1-[(4-ethylcyclohexyl)methylamino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 54880949
(2S)-1-(cyclohexylamino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 8741576
1-[(2-methylpropan-2-yl)oxy]-3-(oxolan-2-ylmethylamino)propan-2-ol
CID 60634018
(2S)-1-cyclopentyl-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 157185666
1-(cyclopentylmethylamino)-3-ethoxypropan-2-ol
CID 63934617
(2S)-1-(cyclohexylmethylamino)-5-methylhexan-2-ol
CID 54336883
1-cyclobutyl-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 105100757
3-(cycloheptylmethylamino)propane-1,2-diol
CID 66176972
(2R)-1-cyclohexyloxy-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 90381402
3-(cyclopentylmethylamino)propane-1,2-diol
CID 60900461
1-(cyclohexylmethylamino)-3-(2-ethylcyclohexyl)oxypropan-2-ol
CID 60633455

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethylamino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol?
The IUPAC name of 1-(cyclohexylmethylamino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol (CID 60633651) is 1-(cyclohexylmethylamino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol.
What is the SMILES notation for 1-(cyclohexylmethylamino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol?
The canonical SMILES for 1-(cyclohexylmethylamino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol is CC(C)(C)OCC(O)CNCC1CCCCC1.
What is the InChIKey of 1-(cyclohexylmethylamino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol?
The InChIKey is WGEDJVTUSWKSRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-14(2,3)17-11-13(16)10-15-9-12-7-5-4-6-8-12/h12-13,15-16H,4-11H2,1-3H3.
What are the key properties of 1-(cyclohexylmethylamino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol?
1-(cyclohexylmethylamino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol has a molecular weight of 243.39 g/mol, XLogP of 2.33, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethylamino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol is sourced from PubChem (CID 60633651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).