2-(dibutylalumanylmethyl)-N,N-dimethylaniline

C17H30AlN — CID 87741099

IUPAC2-(dibutylalumanylmethyl)-N,N-dimethylaniline
SMILESCCCC[Al](CCCC)Cc1ccccc1N(C)C
InChIInChI=1S/C9H12N.2C4H9.Al/c1-8-6-4-5-7-9(8)10(2)3;2*1-3-4-2;/h4-7H,1H2,2-3H3;2*1,3-4H2,2H3;
InChIKeyLWBHGJOVIQJHQT-UHFFFAOYSA-N
MW275.42 g/mol
LogP4.93
Rot. Bonds9

About 2-(dibutylalumanylmethyl)-N,N-dimethylaniline

2-(dibutylalumanylmethyl)-N,N-dimethylaniline (PubChem CID 87741099) has the molecular formula C17H30AlN and a molecular weight of 275.42 g/mol. Its IUPAC name is 2-(dibutylalumanylmethyl)-N,N-dimethylaniline.

Molecular Properties

Compound Name2-(dibutylalumanylmethyl)-N,N-dimethylaniline
PubChem CID87741099
Molecular FormulaC17H30AlN
Molecular Weight275.42 g/mol
Exact Mass275.22
IUPAC Name2-(dibutylalumanylmethyl)-N,N-dimethylaniline
SMILESCCCC[Al](CCCC)Cc1ccccc1N(C)C
InChIInChI=1S/C9H12N.2C4H9.Al/c1-8-6-4-5-7-9(8)10(2)3;2*1-3-4-2;/h4-7H,1H2,2-3H3;2*1,3-4H2,2H3;
InChIKeyLWBHGJOVIQJHQT-UHFFFAOYSA-N
XLogP4.93
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-heptyl-N,N-dimethylaniline
CID 69464807
2-heptadecyl-N,N-dimethylaniline;hydrochloride
CID 175215390
N,N-dimethyl-2-nonadecylaniline;hydrochloride
CID 175204059
2-dodecyl-N,N-dimethylaniline;hydrobromide
CID 175216326
N,N-dimethyl-2-octadecylaniline;hydrobromide
CID 175213757
2-(diethylindiganylmethyl)-N,N-dimethylaniline
CID 88506247
8-dibutylalumanyl-N,N-dimethylnaphthalen-1-amine
CID 87741330
2-(cyclopropylmethyl)-N,N-dimethylaniline
CID 90792914
N-methyl-N-(3-methylpentan-2-yl)-2-pentylaniline
CID 123483024
N,N-diethyl-2-heptadecylaniline
CID 175210337
2-(diazenylmethyl)-N,N-dimethylaniline
CID 57112857
1-N-butyl-2-N,2-N-dimethylbenzene-1,2-diamine
CID 43726650

Frequently Asked Questions

What is the IUPAC name of 2-(dibutylalumanylmethyl)-N,N-dimethylaniline?
The IUPAC name of 2-(dibutylalumanylmethyl)-N,N-dimethylaniline (CID 87741099) is 2-(dibutylalumanylmethyl)-N,N-dimethylaniline.
What is the SMILES notation for 2-(dibutylalumanylmethyl)-N,N-dimethylaniline?
The canonical SMILES for 2-(dibutylalumanylmethyl)-N,N-dimethylaniline is CCCC[Al](CCCC)Cc1ccccc1N(C)C.
What is the InChIKey of 2-(dibutylalumanylmethyl)-N,N-dimethylaniline?
The InChIKey is LWBHGJOVIQJHQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N.2C4H9.Al/c1-8-6-4-5-7-9(8)10(2)3;2*1-3-4-2;/h4-7H,1H2,2-3H3;2*1,3-4H2,2H3;.
What are the key properties of 2-(dibutylalumanylmethyl)-N,N-dimethylaniline?
2-(dibutylalumanylmethyl)-N,N-dimethylaniline has a molecular weight of 275.42 g/mol, XLogP of 4.93, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dibutylalumanylmethyl)-N,N-dimethylaniline is sourced from PubChem (CID 87741099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).