1-[3-(aminomethyl)pentan-3-yloxy]-3-(1-methoxypropan-2-yloxy)propan-2-ol

C13H29NO4 — CID 106988251

IUPAC1-[3-(aminomethyl)pentan-3-yloxy]-3-(1-methoxypropan-2-yloxy)propan-2-ol
SMILESCCC(CC)(CN)OCC(O)COC(C)COC
InChIInChI=1S/C13H29NO4/c1-5-13(6-2,10-14)18-9-12(15)8-17-11(3)7-16-4/h11-12,15H,5-10,14H2,1-4H3
InChIKeyWEWCFOGZAJTYSM-UHFFFAOYSA-N
MW263.38 g/mol
LogP0.93
Rot. Bonds11

About 1-[3-(aminomethyl)pentan-3-yloxy]-3-(1-methoxypropan-2-yloxy)propan-2-ol

1-[3-(aminomethyl)pentan-3-yloxy]-3-(1-methoxypropan-2-yloxy)propan-2-ol (PubChem CID 106988251) has the molecular formula C13H29NO4 and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-[3-(aminomethyl)pentan-3-yloxy]-3-(1-methoxypropan-2-yloxy)propan-2-ol.

Molecular Properties

Compound Name1-[3-(aminomethyl)pentan-3-yloxy]-3-(1-methoxypropan-2-yloxy)propan-2-ol
PubChem CID106988251
Molecular FormulaC13H29NO4
Molecular Weight263.38 g/mol
Exact Mass263.21
IUPAC Name1-[3-(aminomethyl)pentan-3-yloxy]-3-(1-methoxypropan-2-yloxy)propan-2-ol
SMILESCCC(CC)(CN)OCC(O)COC(C)COC
InChIInChI=1S/C13H29NO4/c1-5-13(6-2,10-14)18-9-12(15)8-17-11(3)7-16-4/h11-12,15H,5-10,14H2,1-4H3
InChIKeyWEWCFOGZAJTYSM-UHFFFAOYSA-N
XLogP0.93
TPSA73.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[3-(aminomethyl)pentan-3-yloxy]-3-(1-methoxypropan-2-yloxy)propan-2-ol with MolForge

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Related Compounds

1-methoxy-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 107508429
1-[1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]butan-2-ol
CID 20834285
1-(2-amino-2-methylpropoxy)-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106991230
2-ethyl-2-(2-methylbutoxy)butan-1-amine
CID 65051236
1-(1-methoxypropan-2-yloxy)-7-methyloctane-2,5-diol
CID 106992842
2-ethyl-2-(2-propan-2-yloxyethoxy)butan-1-amine
CID 65051183
1-[1-(1-methoxypropan-2-yloxy)butan-2-yloxy]butan-2-ol
CID 169296791
3-[[[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]amino]methyl]pentan-3-ol
CID 106990049
1-azido-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106991332
1-[ethyl(methyl)amino]-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106991712
1,3-di(butan-2-yloxy)propan-2-ol
CID 22072723
1-amino-3-(1-methoxypropan-2-yloxy)-2-methylpropan-2-ol
CID 64821675

Frequently Asked Questions

What is the IUPAC name of 1-[3-(aminomethyl)pentan-3-yloxy]-3-(1-methoxypropan-2-yloxy)propan-2-ol?
The IUPAC name of 1-[3-(aminomethyl)pentan-3-yloxy]-3-(1-methoxypropan-2-yloxy)propan-2-ol (CID 106988251) is 1-[3-(aminomethyl)pentan-3-yloxy]-3-(1-methoxypropan-2-yloxy)propan-2-ol.
What is the SMILES notation for 1-[3-(aminomethyl)pentan-3-yloxy]-3-(1-methoxypropan-2-yloxy)propan-2-ol?
The canonical SMILES for 1-[3-(aminomethyl)pentan-3-yloxy]-3-(1-methoxypropan-2-yloxy)propan-2-ol is CCC(CC)(CN)OCC(O)COC(C)COC.
What is the InChIKey of 1-[3-(aminomethyl)pentan-3-yloxy]-3-(1-methoxypropan-2-yloxy)propan-2-ol?
The InChIKey is WEWCFOGZAJTYSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO4/c1-5-13(6-2,10-14)18-9-12(15)8-17-11(3)7-16-4/h11-12,15H,5-10,14H2,1-4H3.
What are the key properties of 1-[3-(aminomethyl)pentan-3-yloxy]-3-(1-methoxypropan-2-yloxy)propan-2-ol?
1-[3-(aminomethyl)pentan-3-yloxy]-3-(1-methoxypropan-2-yloxy)propan-2-ol has a molecular weight of 263.38 g/mol, XLogP of 0.93, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(aminomethyl)pentan-3-yloxy]-3-(1-methoxypropan-2-yloxy)propan-2-ol is sourced from PubChem (CID 106988251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).