1-(cyclobutylmethylamino)-3-(1-methoxypropan-2-yloxy)propan-2-ol

C12H25NO3 — CID 106989343

IUPAC1-(cyclobutylmethylamino)-3-(1-methoxypropan-2-yloxy)propan-2-ol
SMILESCOCC(C)OCC(O)CNCC1CCC1
InChIInChI=1S/C12H25NO3/c1-10(8-15-2)16-9-12(14)7-13-6-11-4-3-5-11/h10-14H,3-9H2,1-2H3
InChIKeyCLILYJOFOADOCY-UHFFFAOYSA-N
MW231.34 g/mol
LogP0.79
Rot. Bonds9

About 1-(cyclobutylmethylamino)-3-(1-methoxypropan-2-yloxy)propan-2-ol

1-(cyclobutylmethylamino)-3-(1-methoxypropan-2-yloxy)propan-2-ol (PubChem CID 106989343) has the molecular formula C12H25NO3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 1-(cyclobutylmethylamino)-3-(1-methoxypropan-2-yloxy)propan-2-ol.

Molecular Properties

Compound Name1-(cyclobutylmethylamino)-3-(1-methoxypropan-2-yloxy)propan-2-ol
PubChem CID106989343
Molecular FormulaC12H25NO3
Molecular Weight231.34 g/mol
Exact Mass231.18
IUPAC Name1-(cyclobutylmethylamino)-3-(1-methoxypropan-2-yloxy)propan-2-ol
SMILESCOCC(C)OCC(O)CNCC1CCC1
InChIInChI=1S/C12H25NO3/c1-10(8-15-2)16-9-12(14)7-13-6-11-4-3-5-11/h10-14H,3-9H2,1-2H3
InChIKeyCLILYJOFOADOCY-UHFFFAOYSA-N
XLogP0.79
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1,1-dioxothiolan-3-yl)methylamino]-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106989532
1-[[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]amino]-4,4-dimethylpentan-2-ol
CID 107151910
1-[(2-ethylcyclohexyl)amino]-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106989604
1-[(2,2-dimethylcyclopentyl)amino]-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106990157
1-methoxy-3-(oxan-4-ylmethylamino)propan-2-ol
CID 63930500
1-(1-methoxypropan-2-yloxy)-3-(2-methylsulfanylethylamino)propan-2-ol
CID 106989964
1-[[1-(hydroxymethyl)cyclohexyl]methylamino]-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106990396
1-methoxy-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 107508429
1-(cyclohexylmethylamino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 60633651
3-[[[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]amino]methyl]pentan-3-ol
CID 106990049
1-(cyclopentylmethylamino)-3-ethoxypropan-2-ol
CID 63934617
1-[[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]amino]cyclobutane-1-carboxylic acid
CID 106991512

Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutylmethylamino)-3-(1-methoxypropan-2-yloxy)propan-2-ol?
The IUPAC name of 1-(cyclobutylmethylamino)-3-(1-methoxypropan-2-yloxy)propan-2-ol (CID 106989343) is 1-(cyclobutylmethylamino)-3-(1-methoxypropan-2-yloxy)propan-2-ol.
What is the SMILES notation for 1-(cyclobutylmethylamino)-3-(1-methoxypropan-2-yloxy)propan-2-ol?
The canonical SMILES for 1-(cyclobutylmethylamino)-3-(1-methoxypropan-2-yloxy)propan-2-ol is COCC(C)OCC(O)CNCC1CCC1.
What is the InChIKey of 1-(cyclobutylmethylamino)-3-(1-methoxypropan-2-yloxy)propan-2-ol?
The InChIKey is CLILYJOFOADOCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3/c1-10(8-15-2)16-9-12(14)7-13-6-11-4-3-5-11/h10-14H,3-9H2,1-2H3.
What are the key properties of 1-(cyclobutylmethylamino)-3-(1-methoxypropan-2-yloxy)propan-2-ol?
1-(cyclobutylmethylamino)-3-(1-methoxypropan-2-yloxy)propan-2-ol has a molecular weight of 231.34 g/mol, XLogP of 0.79, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutylmethylamino)-3-(1-methoxypropan-2-yloxy)propan-2-ol is sourced from PubChem (CID 106989343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).