6-[2-(3-methoxypropoxy)ethoxy]-N-(2-methylpropyl)hexan-1-amine

C16H35NO3 — CID 103181280

IUPAC6-[2-(3-methoxypropoxy)ethoxy]-N-(2-methylpropyl)hexan-1-amine
SMILESCOCCCOCCOCCCCCCNCC(C)C
InChIInChI=1S/C16H35NO3/c1-16(2)15-17-9-6-4-5-7-11-19-13-14-20-12-8-10-18-3/h16-17H,4-15H2,1-3H3
InChIKeyVARFKVFXPQBUOU-UHFFFAOYSA-N
MW289.46 g/mol
LogP2.86
Rot. Bonds16

About 6-[2-(3-methoxypropoxy)ethoxy]-N-(2-methylpropyl)hexan-1-amine

6-[2-(3-methoxypropoxy)ethoxy]-N-(2-methylpropyl)hexan-1-amine (PubChem CID 103181280) has the molecular formula C16H35NO3 and a molecular weight of 289.46 g/mol. Its IUPAC name is 6-[2-(3-methoxypropoxy)ethoxy]-N-(2-methylpropyl)hexan-1-amine.

Molecular Properties

Compound Name6-[2-(3-methoxypropoxy)ethoxy]-N-(2-methylpropyl)hexan-1-amine
PubChem CID103181280
Molecular FormulaC16H35NO3
Molecular Weight289.46 g/mol
Exact Mass289.26
IUPAC Name6-[2-(3-methoxypropoxy)ethoxy]-N-(2-methylpropyl)hexan-1-amine
SMILESCOCCCOCCOCCCCCCNCC(C)C
InChIInChI=1S/C16H35NO3/c1-16(2)15-17-9-6-4-5-7-11-19-13-14-20-12-8-10-18-3/h16-17H,4-15H2,1-3H3
InChIKeyVARFKVFXPQBUOU-UHFFFAOYSA-N
XLogP2.86
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(2-methoxyethoxy)-N-(2-methylpropyl)butan-1-amine
CID 62456720
7-methoxy-N-(2-methylpropyl)heptan-1-amine
CID 104650031
N-[3-[2-(2-methoxyethoxy)ethoxy]propyl]-2-methylpropan-1-amine
CID 104560835
4-hexoxy-N-(2-methylpropyl)butan-1-amine
CID 62455139
4-(4-methylpentoxy)-N-(2-methylpropyl)butan-1-amine
CID 62456980
5-[2-(3-methoxypropoxy)ethoxy]-N-propylpentan-1-amine
CID 103181294
4-ethoxy-N-(2-methylpropyl)butan-1-amine
CID 60957098
2-methyl-N-[3-(2-propoxyethoxy)propyl]propan-1-amine
CID 63684721
N-(5-methoxypentyl)-2-methylpentan-1-amine
CID 103920788
N-(2-methoxyethyl)-N'-(2-methylpropyl)propane-1,3-diamine
CID 62570429
6-(3-methylbut-3-enoxy)-N-(2-methylpropyl)hexan-1-amine
CID 114470839
N-(2-heptoxyethyl)-2-methylpropan-1-amine
CID 62457906

Frequently Asked Questions

What is the IUPAC name of 6-[2-(3-methoxypropoxy)ethoxy]-N-(2-methylpropyl)hexan-1-amine?
The IUPAC name of 6-[2-(3-methoxypropoxy)ethoxy]-N-(2-methylpropyl)hexan-1-amine (CID 103181280) is 6-[2-(3-methoxypropoxy)ethoxy]-N-(2-methylpropyl)hexan-1-amine.
What is the SMILES notation for 6-[2-(3-methoxypropoxy)ethoxy]-N-(2-methylpropyl)hexan-1-amine?
The canonical SMILES for 6-[2-(3-methoxypropoxy)ethoxy]-N-(2-methylpropyl)hexan-1-amine is COCCCOCCOCCCCCCNCC(C)C.
What is the InChIKey of 6-[2-(3-methoxypropoxy)ethoxy]-N-(2-methylpropyl)hexan-1-amine?
The InChIKey is VARFKVFXPQBUOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35NO3/c1-16(2)15-17-9-6-4-5-7-11-19-13-14-20-12-8-10-18-3/h16-17H,4-15H2,1-3H3.
What are the key properties of 6-[2-(3-methoxypropoxy)ethoxy]-N-(2-methylpropyl)hexan-1-amine?
6-[2-(3-methoxypropoxy)ethoxy]-N-(2-methylpropyl)hexan-1-amine has a molecular weight of 289.46 g/mol, XLogP of 2.86, 16 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(3-methoxypropoxy)ethoxy]-N-(2-methylpropyl)hexan-1-amine is sourced from PubChem (CID 103181280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).