N-[chloro(methyl)alumanyl]-1-methoxymethanamine

C3H9AlClNO — CID 57419298

IUPACN-[chloro(methyl)alumanyl]-1-methoxymethanamine
SMILESCOCN[Al](C)Cl
InChIInChI=1S/C2H6NO.CH3.Al.ClH/c1-4-2-3;;;/h3H,2H2,1H3;1H3;;1H/q-1;;+2;/p-1
InChIKeyKEWRSVJZQTVNDV-UHFFFAOYSA-M
MW137.55 g/mol
LogP0.54
Rot. Bonds3

About N-[chloro(methyl)alumanyl]-1-methoxymethanamine

N-[chloro(methyl)alumanyl]-1-methoxymethanamine (PubChem CID 57419298) has the molecular formula C3H9AlClNO and a molecular weight of 137.55 g/mol. Its IUPAC name is N-[chloro(methyl)alumanyl]-1-methoxymethanamine.

Molecular Properties

Compound NameN-[chloro(methyl)alumanyl]-1-methoxymethanamine
PubChem CID57419298
Molecular FormulaC3H9AlClNO
Molecular Weight137.55 g/mol
Exact Mass137.02
IUPAC NameN-[chloro(methyl)alumanyl]-1-methoxymethanamine
SMILESCOCN[Al](C)Cl
InChIInChI=1S/C2H6NO.CH3.Al.ClH/c1-4-2-3;;;/h3H,2H2,1H3;1H3;;1H/q-1;;+2;/p-1
InChIKeyKEWRSVJZQTVNDV-UHFFFAOYSA-M
XLogP0.54
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.55
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-(methoxymethyl)-3-methylpentan-2-amine
CID 143368694
chloro(dimethyl)alumane;dichloromethane
CID 161137933
methyl N-(methoxymethyl)carbamate
CID 12599260
dichloro(methyl)alumane;dihydrochloride
CID 172795512
(methoxymethylamino)methyl thiohypoiodite
CID 169170943
(Z)-N-(methoxymethyl)but-2-en-2-amine
CID 163470878
1-fluoro-N-(methoxymethyl)ethenamine
CID 130438085
3-(methoxymethylamino)propan-1-ol
CID 144789078
1,1-dimethoxy-N-(methoxymethyl)propan-2-amine
CID 91575191
tris(methoxymethyl)silane
CID 159451807
1,2-dimethoxyethane;N-methylmethanamine
CID 175177446
sodium 1-methoxy-2-(2-methoxyethoxyamino)oxyethane
CID 172804793

Frequently Asked Questions

What is the IUPAC name of N-[chloro(methyl)alumanyl]-1-methoxymethanamine?
The IUPAC name of N-[chloro(methyl)alumanyl]-1-methoxymethanamine (CID 57419298) is N-[chloro(methyl)alumanyl]-1-methoxymethanamine.
What is the SMILES notation for N-[chloro(methyl)alumanyl]-1-methoxymethanamine?
The canonical SMILES for N-[chloro(methyl)alumanyl]-1-methoxymethanamine is COCN[Al](C)Cl.
What is the InChIKey of N-[chloro(methyl)alumanyl]-1-methoxymethanamine?
The InChIKey is KEWRSVJZQTVNDV-UHFFFAOYSA-M. The full InChI is InChI=1S/C2H6NO.CH3.Al.ClH/c1-4-2-3;;;/h3H,2H2,1H3;1H3;;1H/q-1;;+2;/p-1.
What are the key properties of N-[chloro(methyl)alumanyl]-1-methoxymethanamine?
N-[chloro(methyl)alumanyl]-1-methoxymethanamine has a molecular weight of 137.55 g/mol, XLogP of 0.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[chloro(methyl)alumanyl]-1-methoxymethanamine is sourced from PubChem (CID 57419298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).