1-[[1-(hydroxymethyl)cyclohexyl]methylamino]-3-(1-methoxypropan-2-yloxy)propan-2-ol

C15H31NO4 — CID 106990396

IUPAC1-[[1-(hydroxymethyl)cyclohexyl]methylamino]-3-(1-methoxypropan-2-yloxy)propan-2-ol
SMILESCOCC(C)OCC(O)CNCC1(CO)CCCCC1
InChIInChI=1S/C15H31NO4/c1-13(9-19-2)20-10-14(18)8-16-11-15(12-17)6-4-3-5-7-15/h13-14,16-18H,3-12H2,1-2H3
InChIKeyIIAYRUQGQDCANW-UHFFFAOYSA-N
MW289.42 g/mol
LogP0.93
Rot. Bonds10

About 1-[[1-(hydroxymethyl)cyclohexyl]methylamino]-3-(1-methoxypropan-2-yloxy)propan-2-ol

1-[[1-(hydroxymethyl)cyclohexyl]methylamino]-3-(1-methoxypropan-2-yloxy)propan-2-ol (PubChem CID 106990396) has the molecular formula C15H31NO4 and a molecular weight of 289.42 g/mol. Its IUPAC name is 1-[[1-(hydroxymethyl)cyclohexyl]methylamino]-3-(1-methoxypropan-2-yloxy)propan-2-ol.

Molecular Properties

Compound Name1-[[1-(hydroxymethyl)cyclohexyl]methylamino]-3-(1-methoxypropan-2-yloxy)propan-2-ol
PubChem CID106990396
Molecular FormulaC15H31NO4
Molecular Weight289.42 g/mol
Exact Mass289.23
IUPAC Name1-[[1-(hydroxymethyl)cyclohexyl]methylamino]-3-(1-methoxypropan-2-yloxy)propan-2-ol
SMILESCOCC(C)OCC(O)CNCC1(CO)CCCCC1
InChIInChI=1S/C15H31NO4/c1-13(9-19-2)20-10-14(18)8-16-11-15(12-17)6-4-3-5-7-15/h13-14,16-18H,3-12H2,1-2H3
InChIKeyIIAYRUQGQDCANW-UHFFFAOYSA-N
XLogP0.93
TPSA70.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-[[1-(hydroxymethyl)cyclohexyl]methylamino]-3-(1-methoxypropan-2-yloxy)propan-2-ol with MolForge

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Related Compounds

1-[[1-(hydroxymethyl)cyclopropyl]methylamino]-3-(2-propan-2-yloxyethoxy)propan-2-ol
CID 113313258
1-[[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]amino]cyclobutane-1-carboxylic acid
CID 106991512
1-(cyclobutylmethylamino)-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106989343
1-[[(2-hydroxy-3-propan-2-yloxypropyl)amino]methyl]cycloheptan-1-ol
CID 65122217
[1-[[[2-(dimethylamino)-3-methylbutyl]amino]methyl]cyclohexyl]methanol
CID 81412012
[1-[(2-ethylbutylamino)methyl]cyclohexyl]methanol
CID 112703676
1-[[(2-hydroxy-3-propan-2-yloxypropyl)amino]methyl]cyclopentan-1-ol
CID 65109325
1-[[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]amino]-4,4-dimethylpentan-2-ol
CID 107151910
1-(4-bromophenoxy)-3-[[1-(hydroxymethyl)cyclopentyl]methylamino]propan-2-ol
CID 115359592
1-[(2,2-dimethylcyclopentyl)amino]-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106990157
2-[[1-(hydroxymethyl)cyclopentyl]methylamino]-N-(1-methoxypropan-2-yl)acetamide
CID 113293822
1-(1-methoxypropan-2-yloxy)-3-(2-methylsulfanylethylamino)propan-2-ol
CID 106989964

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(hydroxymethyl)cyclohexyl]methylamino]-3-(1-methoxypropan-2-yloxy)propan-2-ol?
The IUPAC name of 1-[[1-(hydroxymethyl)cyclohexyl]methylamino]-3-(1-methoxypropan-2-yloxy)propan-2-ol (CID 106990396) is 1-[[1-(hydroxymethyl)cyclohexyl]methylamino]-3-(1-methoxypropan-2-yloxy)propan-2-ol.
What is the SMILES notation for 1-[[1-(hydroxymethyl)cyclohexyl]methylamino]-3-(1-methoxypropan-2-yloxy)propan-2-ol?
The canonical SMILES for 1-[[1-(hydroxymethyl)cyclohexyl]methylamino]-3-(1-methoxypropan-2-yloxy)propan-2-ol is COCC(C)OCC(O)CNCC1(CO)CCCCC1.
What is the InChIKey of 1-[[1-(hydroxymethyl)cyclohexyl]methylamino]-3-(1-methoxypropan-2-yloxy)propan-2-ol?
The InChIKey is IIAYRUQGQDCANW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO4/c1-13(9-19-2)20-10-14(18)8-16-11-15(12-17)6-4-3-5-7-15/h13-14,16-18H,3-12H2,1-2H3.
What are the key properties of 1-[[1-(hydroxymethyl)cyclohexyl]methylamino]-3-(1-methoxypropan-2-yloxy)propan-2-ol?
1-[[1-(hydroxymethyl)cyclohexyl]methylamino]-3-(1-methoxypropan-2-yloxy)propan-2-ol has a molecular weight of 289.42 g/mol, XLogP of 0.93, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(hydroxymethyl)cyclohexyl]methylamino]-3-(1-methoxypropan-2-yloxy)propan-2-ol is sourced from PubChem (CID 106990396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).