1-[(2-ethylcyclohexyl)amino]-3-(1-methoxypropan-2-yloxy)propan-2-ol

C15H31NO3 — CID 106989604

IUPAC1-[(2-ethylcyclohexyl)amino]-3-(1-methoxypropan-2-yloxy)propan-2-ol
SMILESCCC1CCCCC1NCC(O)COC(C)COC
InChIInChI=1S/C15H31NO3/c1-4-13-7-5-6-8-15(13)16-9-14(17)11-19-12(2)10-18-3/h12-17H,4-11H2,1-3H3
InChIKeyBFMBYNLVEANDEL-UHFFFAOYSA-N
MW273.42 g/mol
LogP1.96
Rot. Bonds9

About 1-[(2-ethylcyclohexyl)amino]-3-(1-methoxypropan-2-yloxy)propan-2-ol

1-[(2-ethylcyclohexyl)amino]-3-(1-methoxypropan-2-yloxy)propan-2-ol (PubChem CID 106989604) has the molecular formula C15H31NO3 and a molecular weight of 273.42 g/mol. Its IUPAC name is 1-[(2-ethylcyclohexyl)amino]-3-(1-methoxypropan-2-yloxy)propan-2-ol.

Molecular Properties

Compound Name1-[(2-ethylcyclohexyl)amino]-3-(1-methoxypropan-2-yloxy)propan-2-ol
PubChem CID106989604
Molecular FormulaC15H31NO3
Molecular Weight273.42 g/mol
Exact Mass273.23
IUPAC Name1-[(2-ethylcyclohexyl)amino]-3-(1-methoxypropan-2-yloxy)propan-2-ol
SMILESCCC1CCCCC1NCC(O)COC(C)COC
InChIInChI=1S/C15H31NO3/c1-4-13-7-5-6-8-15(13)16-9-14(17)11-19-12(2)10-18-3/h12-17H,4-11H2,1-3H3
InChIKeyBFMBYNLVEANDEL-UHFFFAOYSA-N
XLogP1.96
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(2-ethylcyclohexyl)amino]-3-(1-methoxypropan-2-yloxy)propan-2-ol with MolForge

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Related Compounds

1-(2-ethoxyethoxy)-3-[(2-ethylcyclohexyl)amino]propan-2-ol
CID 61467310
1-(cyclopropylmethoxy)-3-[(2-ethylcyclohexyl)amino]propan-2-ol
CID 54955680
1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106989689
1-[(2,2-dimethylcyclopentyl)amino]-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106990157
1-(cyclobutylmethylamino)-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106989343
1-[(2-ethylcyclopentyl)amino]pentan-2-ol
CID 115719434
1-[(2-methylcyclopentyl)amino]-3-(4-methylpentan-2-yloxy)propan-2-ol
CID 55172046
1-cyclopentyl-2-[(2-ethylcyclopentyl)amino]ethanol
CID 115890580
3-[(2-ethylcyclohexyl)amino]-N'-hydroxy-2-methylpropanimidamide
CID 77030866
1-methoxy-3-[[2-(trifluoromethyl)cyclohexyl]amino]propan-2-ol
CID 64758911
(2R)-4-[[(1S,2S)-2-ethylcyclohexyl]amino]butan-2-ol
CID 96784202
1-(1-methoxypropan-2-yloxy)-3-[(1-methylsulfonylpiperidin-4-yl)amino]propan-2-ol
CID 106989436

Frequently Asked Questions

What is the IUPAC name of 1-[(2-ethylcyclohexyl)amino]-3-(1-methoxypropan-2-yloxy)propan-2-ol?
The IUPAC name of 1-[(2-ethylcyclohexyl)amino]-3-(1-methoxypropan-2-yloxy)propan-2-ol (CID 106989604) is 1-[(2-ethylcyclohexyl)amino]-3-(1-methoxypropan-2-yloxy)propan-2-ol.
What is the SMILES notation for 1-[(2-ethylcyclohexyl)amino]-3-(1-methoxypropan-2-yloxy)propan-2-ol?
The canonical SMILES for 1-[(2-ethylcyclohexyl)amino]-3-(1-methoxypropan-2-yloxy)propan-2-ol is CCC1CCCCC1NCC(O)COC(C)COC.
What is the InChIKey of 1-[(2-ethylcyclohexyl)amino]-3-(1-methoxypropan-2-yloxy)propan-2-ol?
The InChIKey is BFMBYNLVEANDEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO3/c1-4-13-7-5-6-8-15(13)16-9-14(17)11-19-12(2)10-18-3/h12-17H,4-11H2,1-3H3.
What are the key properties of 1-[(2-ethylcyclohexyl)amino]-3-(1-methoxypropan-2-yloxy)propan-2-ol?
1-[(2-ethylcyclohexyl)amino]-3-(1-methoxypropan-2-yloxy)propan-2-ol has a molecular weight of 273.42 g/mol, XLogP of 1.96, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-ethylcyclohexyl)amino]-3-(1-methoxypropan-2-yloxy)propan-2-ol is sourced from PubChem (CID 106989604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).