2-hexoxy-3-methoxy-N-propan-2-ylpropan-1-amine

C13H29NO2 — CID 103227914

IUPAC2-hexoxy-3-methoxy-N-propan-2-ylpropan-1-amine
SMILESCCCCCCOC(CNC(C)C)COC
InChIInChI=1S/C13H29NO2/c1-5-6-7-8-9-16-13(11-15-4)10-14-12(2)3/h12-14H,5-11H2,1-4H3
InChIKeyXQXUFSYKBACBQB-UHFFFAOYSA-N
MW231.38 g/mol
LogP2.60
Rot. Bonds11

About 2-hexoxy-3-methoxy-N-propan-2-ylpropan-1-amine

2-hexoxy-3-methoxy-N-propan-2-ylpropan-1-amine (PubChem CID 103227914) has the molecular formula C13H29NO2 and a molecular weight of 231.38 g/mol. Its IUPAC name is 2-hexoxy-3-methoxy-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name2-hexoxy-3-methoxy-N-propan-2-ylpropan-1-amine
PubChem CID103227914
Molecular FormulaC13H29NO2
Molecular Weight231.38 g/mol
Exact Mass231.22
IUPAC Name2-hexoxy-3-methoxy-N-propan-2-ylpropan-1-amine
SMILESCCCCCCOC(CNC(C)C)COC
InChIInChI=1S/C13H29NO2/c1-5-6-7-8-9-16-13(11-15-4)10-14-12(2)3/h12-14H,5-11H2,1-4H3
InChIKeyXQXUFSYKBACBQB-UHFFFAOYSA-N
XLogP2.60
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-hexoxy-N-propan-2-ylpentan-1-amine
CID 83044468
2-hexoxy-3-methoxy-N-propylpropan-1-amine
CID 103227913
N-ethyl-3-methoxy-2-pentoxypropan-1-amine
CID 103228001
(2S)-3-methoxy-2-octadecoxypropan-1-ol
CID 22837281
1-(2,3-dihexadecoxypropoxy)-3-(propan-2-ylamino)propan-2-ol;hydrochloride
CID 23466152
1-[1-methoxy-3-(2-methoxyethoxy)propan-2-yl]oxyoctadecane
CID 126614147
3-methoxy-2-(3-phenylpropoxy)-N-propan-2-ylpropan-1-amine
CID 103228598
2,3-didodecoxy-N-methylpropan-1-amine
CID 170032981
3-methoxy-N-propan-2-yl-2-(3-pyridin-4-ylpropoxy)propan-1-amine
CID 103227977
3-methoxy-N-propan-2-yl-2-sulfanyloxypropan-1-amine
CID 135280864
2-hexadecoxypropane-1,3-diol
CID 12924931
1-[2,3-di(tridecoxy)propoxy]tridecane
CID 71331054

Frequently Asked Questions

What is the IUPAC name of 2-hexoxy-3-methoxy-N-propan-2-ylpropan-1-amine?
The IUPAC name of 2-hexoxy-3-methoxy-N-propan-2-ylpropan-1-amine (CID 103227914) is 2-hexoxy-3-methoxy-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 2-hexoxy-3-methoxy-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 2-hexoxy-3-methoxy-N-propan-2-ylpropan-1-amine is CCCCCCOC(CNC(C)C)COC.
What is the InChIKey of 2-hexoxy-3-methoxy-N-propan-2-ylpropan-1-amine?
The InChIKey is XQXUFSYKBACBQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO2/c1-5-6-7-8-9-16-13(11-15-4)10-14-12(2)3/h12-14H,5-11H2,1-4H3.
What are the key properties of 2-hexoxy-3-methoxy-N-propan-2-ylpropan-1-amine?
2-hexoxy-3-methoxy-N-propan-2-ylpropan-1-amine has a molecular weight of 231.38 g/mol, XLogP of 2.60, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexoxy-3-methoxy-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 103227914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).