N-[[2-(diethylalumanylmethyl)-2-(ethylaminomethyl)cyclohexyl]methyl]ethanamine

C17H37AlN2 — CID 19904940

IUPACN-[[2-(diethylalumanylmethyl)-2-(ethylaminomethyl)cyclohexyl]methyl]ethanamine
SMILESCCNCC1CCCCC1(CNCC)C[Al](CC)CC
InChIInChI=1S/C13H27N2.2C2H5.Al/c1-4-14-10-12-8-6-7-9-13(12,3)11-15-5-2;2*1-2;/h12,14-15H,3-11H2,1-2H3;2*1H2,2H3;
InChIKeyQHTXLXBUUNBGNU-UHFFFAOYSA-N
MW296.48 g/mol
LogP3.92
Rot. Bonds10

About N-[[2-(diethylalumanylmethyl)-2-(ethylaminomethyl)cyclohexyl]methyl]ethanamine

N-[[2-(diethylalumanylmethyl)-2-(ethylaminomethyl)cyclohexyl]methyl]ethanamine (PubChem CID 19904940) has the molecular formula C17H37AlN2 and a molecular weight of 296.48 g/mol. Its IUPAC name is N-[[2-(diethylalumanylmethyl)-2-(ethylaminomethyl)cyclohexyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(diethylalumanylmethyl)-2-(ethylaminomethyl)cyclohexyl]methyl]ethanamine
PubChem CID19904940
Molecular FormulaC17H37AlN2
Molecular Weight296.48 g/mol
Exact Mass296.28
IUPAC NameN-[[2-(diethylalumanylmethyl)-2-(ethylaminomethyl)cyclohexyl]methyl]ethanamine
SMILESCCNCC1CCCCC1(CNCC)C[Al](CC)CC
InChIInChI=1S/C13H27N2.2C2H5.Al/c1-4-14-10-12-8-6-7-9-13(12,3)11-15-5-2;2*1-2;/h12,14-15H,3-11H2,1-2H3;2*1H2,2H3;
InChIKeyQHTXLXBUUNBGNU-UHFFFAOYSA-N
XLogP3.92
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.48
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(diethylalumanylmethyl)-2-(ethylaminomethyl)cyclohexyl]methyl]ethanamine?
The IUPAC name of N-[[2-(diethylalumanylmethyl)-2-(ethylaminomethyl)cyclohexyl]methyl]ethanamine (CID 19904940) is N-[[2-(diethylalumanylmethyl)-2-(ethylaminomethyl)cyclohexyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(diethylalumanylmethyl)-2-(ethylaminomethyl)cyclohexyl]methyl]ethanamine?
The canonical SMILES for N-[[2-(diethylalumanylmethyl)-2-(ethylaminomethyl)cyclohexyl]methyl]ethanamine is CCNCC1CCCCC1(CNCC)C[Al](CC)CC.
What is the InChIKey of N-[[2-(diethylalumanylmethyl)-2-(ethylaminomethyl)cyclohexyl]methyl]ethanamine?
The InChIKey is QHTXLXBUUNBGNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N2.2C2H5.Al/c1-4-14-10-12-8-6-7-9-13(12,3)11-15-5-2;2*1-2;/h12,14-15H,3-11H2,1-2H3;2*1H2,2H3;.
What are the key properties of N-[[2-(diethylalumanylmethyl)-2-(ethylaminomethyl)cyclohexyl]methyl]ethanamine?
N-[[2-(diethylalumanylmethyl)-2-(ethylaminomethyl)cyclohexyl]methyl]ethanamine has a molecular weight of 296.48 g/mol, XLogP of 3.92, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(diethylalumanylmethyl)-2-(ethylaminomethyl)cyclohexyl]methyl]ethanamine is sourced from PubChem (CID 19904940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).