2-(3-alumanyloxypropoxy)-N,N-dimethylethanamine

C7H18AlNO2 — CID 156656248

IUPAC2-(3-alumanyloxypropoxy)-N,N-dimethylethanamine
SMILESCN(C)CCOCCCO[AlH2]
InChIInChI=1S/C7H16NO2.Al.2H/c1-8(2)4-7-10-6-3-5-9;;;/h3-7H2,1-2H3;;;/q-1;+1;;
InChIKeySNORBTRXFWAXMN-UHFFFAOYSA-N
MW175.21 g/mol
LogP-0.48
Rot. Bonds7

About 2-(3-alumanyloxypropoxy)-N,N-dimethylethanamine

2-(3-alumanyloxypropoxy)-N,N-dimethylethanamine (PubChem CID 156656248) has the molecular formula C7H18AlNO2 and a molecular weight of 175.21 g/mol. Its IUPAC name is 2-(3-alumanyloxypropoxy)-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-(3-alumanyloxypropoxy)-N,N-dimethylethanamine
PubChem CID156656248
Molecular FormulaC7H18AlNO2
Molecular Weight175.21 g/mol
Exact Mass175.12
IUPAC Name2-(3-alumanyloxypropoxy)-N,N-dimethylethanamine
SMILESCN(C)CCOCCCO[AlH2]
InChIInChI=1S/C7H16NO2.Al.2H/c1-8(2)4-7-10-6-3-5-9;;;/h3-7H2,1-2H3;;;/q-1;+1;;
InChIKeySNORBTRXFWAXMN-UHFFFAOYSA-N
XLogP-0.48
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.21
LogP ≤ 5-0.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-alumanyl-3-[2-(dimethylamino)ethoxy]-N-methylpropan-1-amine
CID 156656265
2-[2-[2-(dimethylamino)ethoxy]ethoxy]-N,N-dimethylethanamine;ethane
CID 168987783
5-[10-[5-(dimethylamino)pentoxy]decoxy]-N,N-dimethylpentan-1-amine
CID 154134188
2-[2-(dimethylamino)ethoxy]ethanolate
CID 23295259
2-[2-(dimethylamino)ethoxy]ethanol
CID 158737336
6-[3-(dimethylamino)propoxy]-N,N-dimethylhexan-1-amine
CID 71335921
potassium 2-[2-[3-(dimethylamino)propoxy]ethoxy]ethanolate
CID 159366457
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(dimethylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 154730088
2-[2-[2-(dimethylamino)ethoxy]ethoxy]ethanamine
CID 58108235
2-[2-(dimethylamino)ethoxy]ethyl hypoiodite
CID 138660148
2-(2-chloroethoxy)-N,N-dimethylethanamine;hydrochloride
CID 71756551
N-[2-[2-(dimethylamino)ethoxy]ethyl]-N-methylpropan-2-amine
CID 170129105

Frequently Asked Questions

What is the IUPAC name of 2-(3-alumanyloxypropoxy)-N,N-dimethylethanamine?
The IUPAC name of 2-(3-alumanyloxypropoxy)-N,N-dimethylethanamine (CID 156656248) is 2-(3-alumanyloxypropoxy)-N,N-dimethylethanamine.
What is the SMILES notation for 2-(3-alumanyloxypropoxy)-N,N-dimethylethanamine?
The canonical SMILES for 2-(3-alumanyloxypropoxy)-N,N-dimethylethanamine is CN(C)CCOCCCO[AlH2].
What is the InChIKey of 2-(3-alumanyloxypropoxy)-N,N-dimethylethanamine?
The InChIKey is SNORBTRXFWAXMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16NO2.Al.2H/c1-8(2)4-7-10-6-3-5-9;;;/h3-7H2,1-2H3;;;/q-1;+1;;.
What are the key properties of 2-(3-alumanyloxypropoxy)-N,N-dimethylethanamine?
2-(3-alumanyloxypropoxy)-N,N-dimethylethanamine has a molecular weight of 175.21 g/mol, XLogP of -0.48, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-alumanyloxypropoxy)-N,N-dimethylethanamine is sourced from PubChem (CID 156656248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).