2-hexoxy-3-methoxy-N-propylpropan-1-amine

C13H29NO2 — CID 103227913

IUPAC2-hexoxy-3-methoxy-N-propylpropan-1-amine
SMILESCCCCCCOC(CNCCC)COC
InChIInChI=1S/C13H29NO2/c1-4-6-7-8-10-16-13(12-15-3)11-14-9-5-2/h13-14H,4-12H2,1-3H3
InChIKeyBIRHQJNGOPLFCM-UHFFFAOYSA-N
MW231.38 g/mol
LogP2.60
Rot. Bonds12

About 2-hexoxy-3-methoxy-N-propylpropan-1-amine

2-hexoxy-3-methoxy-N-propylpropan-1-amine (PubChem CID 103227913) has the molecular formula C13H29NO2 and a molecular weight of 231.38 g/mol. Its IUPAC name is 2-hexoxy-3-methoxy-N-propylpropan-1-amine.

Molecular Properties

Compound Name2-hexoxy-3-methoxy-N-propylpropan-1-amine
PubChem CID103227913
Molecular FormulaC13H29NO2
Molecular Weight231.38 g/mol
Exact Mass231.22
IUPAC Name2-hexoxy-3-methoxy-N-propylpropan-1-amine
SMILESCCCCCCOC(CNCCC)COC
InChIInChI=1S/C13H29NO2/c1-4-6-7-8-10-16-13(12-15-3)11-14-9-5-2/h13-14H,4-12H2,1-3H3
InChIKeyBIRHQJNGOPLFCM-UHFFFAOYSA-N
XLogP2.60
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
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

N-ethyl-3-methoxy-2-pentoxypropan-1-amine
CID 103228001
N'-(2,3-dihexadecoxypropyl)-N-[2-[2-(2,3-dihexadecoxypropylamino)ethylamino]ethyl]butane-1,4-diamine
CID 122684129
2-hexoxy-3-methoxy-N-propan-2-ylpropan-1-amine
CID 103227914
(2S)-3-methoxy-2-octadecoxypropan-1-ol
CID 22837281
2-[(E)-but-2-enoxy]-3-methoxy-N-propylpropan-1-amine
CID 103227663
1-[1-methoxy-3-(2-methoxyethoxy)propan-2-yl]oxyoctadecane
CID 126614147
N-ethyl-2-octoxybutan-1-amine
CID 62456263
2,3-didodecoxy-N-methylpropan-1-amine
CID 170032981
2-heptoxy-N-(3-methoxypropyl)propan-1-amine
CID 62597976
N'-(7,8-dihexadecoxyoctyl)-N-propylpropane-1,3-diamine
CID 158320310
2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N-propylbutan-1-amine
CID 104566671
4-methoxy-2,3-dimethyl-N-propylbutan-1-amine
CID 81016349

Frequently Asked Questions

What is the IUPAC name of 2-hexoxy-3-methoxy-N-propylpropan-1-amine?
The IUPAC name of 2-hexoxy-3-methoxy-N-propylpropan-1-amine (CID 103227913) is 2-hexoxy-3-methoxy-N-propylpropan-1-amine.
What is the SMILES notation for 2-hexoxy-3-methoxy-N-propylpropan-1-amine?
The canonical SMILES for 2-hexoxy-3-methoxy-N-propylpropan-1-amine is CCCCCCOC(CNCCC)COC.
What is the InChIKey of 2-hexoxy-3-methoxy-N-propylpropan-1-amine?
The InChIKey is BIRHQJNGOPLFCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO2/c1-4-6-7-8-10-16-13(12-15-3)11-14-9-5-2/h13-14H,4-12H2,1-3H3.
What are the key properties of 2-hexoxy-3-methoxy-N-propylpropan-1-amine?
2-hexoxy-3-methoxy-N-propylpropan-1-amine has a molecular weight of 231.38 g/mol, XLogP of 2.60, 12 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-propylpropan-1-amine is sourced from PubChem (CID 103227913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).