alumanyl 2-[methyl(pentyl)amino]acetate

C8H18AlNO2 — CID 173223235

IUPACalumanyl 2-[methyl(pentyl)amino]acetate
SMILESCCCCCN(C)CC(=O)O[AlH2]
InChIInChI=1S/C8H17NO2.Al.2H/c1-3-4-5-6-9(2)7-8(10)11;;;/h3-7H2,1-2H3,(H,10,11);;;/q;+1;;/p-1
InChIKeyZLAZRAFCKDFOOV-UHFFFAOYSA-M
MW187.22 g/mol
LogP0.20
Rot. Bonds6

About alumanyl 2-[methyl(pentyl)amino]acetate

alumanyl 2-[methyl(pentyl)amino]acetate (PubChem CID 173223235) has the molecular formula C8H18AlNO2 and a molecular weight of 187.22 g/mol. Its IUPAC name is alumanyl 2-[methyl(pentyl)amino]acetate.

Molecular Properties

Compound Namealumanyl 2-[methyl(pentyl)amino]acetate
PubChem CID173223235
Molecular FormulaC8H18AlNO2
Molecular Weight187.22 g/mol
Exact Mass187.12
IUPAC Namealumanyl 2-[methyl(pentyl)amino]acetate
SMILESCCCCCN(C)CC(=O)O[AlH2]
InChIInChI=1S/C8H17NO2.Al.2H/c1-3-4-5-6-9(2)7-8(10)11;;;/h3-7H2,1-2H3,(H,10,11);;;/q;+1;;/p-1
InChIKeyZLAZRAFCKDFOOV-UHFFFAOYSA-M
XLogP0.20
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.22
LogP ≤ 50.20
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

methyl 2-[methyl(octyl)amino]acetate
CID 62028594
methyl 2-[methyl(nonyl)amino]acetate
CID 61238688
calcium;2-[dodecyl(methyl)amino]acetic acid;hydride
CID 173195427
2-[hexyl(methyl)amino]acetic acid
CID 10197909
2-[methyl(tridecyl)amino]acetamide
CID 175737609
N,N-diethyl-2-[hexyl(methyl)amino]acetamide
CID 86911436
2-[dodecyl(methyl)amino]-N-methylacetamide
CID 87591465
1-[butyl(methyl)amino]propan-2-one
CID 43219631
2-[butyl(methyl)amino]acetamide
CID 22371777
2-[butyl(methyl)amino]acetyl chloride
CID 39248237
4-[methyl(pentyl)amino]butan-2-one
CID 23332894
sodium;N,N-dimethyloctan-1-amine;2-[dodecyl(methyl)amino]acetate
CID 162182675

Frequently Asked Questions

What is the IUPAC name of alumanyl 2-[methyl(pentyl)amino]acetate?
The IUPAC name of alumanyl 2-[methyl(pentyl)amino]acetate (CID 173223235) is alumanyl 2-[methyl(pentyl)amino]acetate.
What is the SMILES notation for alumanyl 2-[methyl(pentyl)amino]acetate?
The canonical SMILES for alumanyl 2-[methyl(pentyl)amino]acetate is CCCCCN(C)CC(=O)O[AlH2].
What is the InChIKey of alumanyl 2-[methyl(pentyl)amino]acetate?
The InChIKey is ZLAZRAFCKDFOOV-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H17NO2.Al.2H/c1-3-4-5-6-9(2)7-8(10)11;;;/h3-7H2,1-2H3,(H,10,11);;;/q;+1;;/p-1.
What are the key properties of alumanyl 2-[methyl(pentyl)amino]acetate?
alumanyl 2-[methyl(pentyl)amino]acetate has a molecular weight of 187.22 g/mol, XLogP of 0.20, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for alumanyl 2-[methyl(pentyl)amino]acetate is sourced from PubChem (CID 173223235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).