N,N',3,6-tetraethyl-N-(2-methoxyethyl)-N'-methyloctane-1,8-diamine

C20H44N2O — CID 59123489

IUPACN,N',3,6-tetraethyl-N-(2-methoxyethyl)-N'-methyloctane-1,8-diamine
SMILESCCC(CCC(CC)CCN(CC)CCOC)CCN(C)CC
InChIInChI=1S/C20H44N2O/c1-7-19(13-15-21(5)9-3)11-12-20(8-2)14-16-22(10-4)17-18-23-6/h19-20H,7-18H2,1-6H3
InChIKeyLCPKDQFLENRYEE-UHFFFAOYSA-N
MW328.59 g/mol
LogP4.52
Rot. Bonds16

About N,N',3,6-tetraethyl-N-(2-methoxyethyl)-N'-methyloctane-1,8-diamine

N,N',3,6-tetraethyl-N-(2-methoxyethyl)-N'-methyloctane-1,8-diamine (PubChem CID 59123489) has the molecular formula C20H44N2O and a molecular weight of 328.59 g/mol. Its IUPAC name is N,N',3,6-tetraethyl-N-(2-methoxyethyl)-N'-methyloctane-1,8-diamine.

Molecular Properties

Compound NameN,N',3,6-tetraethyl-N-(2-methoxyethyl)-N'-methyloctane-1,8-diamine
PubChem CID59123489
Molecular FormulaC20H44N2O
Molecular Weight328.59 g/mol
Exact Mass328.35
IUPAC NameN,N',3,6-tetraethyl-N-(2-methoxyethyl)-N'-methyloctane-1,8-diamine
SMILESCCC(CCC(CC)CCN(CC)CCOC)CCN(C)CC
InChIInChI=1S/C20H44N2O/c1-7-19(13-15-21(5)9-3)11-12-20(8-2)14-16-22(10-4)17-18-23-6/h19-20H,7-18H2,1-6H3
InChIKeyLCPKDQFLENRYEE-UHFFFAOYSA-N
XLogP4.52
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.59
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N,N',3,6-tetraethyl-N-(2-methoxyethyl)-N'-methyloctane-1,8-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N',3,6-tetraethyl-N-(2-methoxyethyl)-N'-methyloctane-1,8-diamine?
The IUPAC name of N,N',3,6-tetraethyl-N-(2-methoxyethyl)-N'-methyloctane-1,8-diamine (CID 59123489) is N,N',3,6-tetraethyl-N-(2-methoxyethyl)-N'-methyloctane-1,8-diamine.
What is the SMILES notation for N,N',3,6-tetraethyl-N-(2-methoxyethyl)-N'-methyloctane-1,8-diamine?
The canonical SMILES for N,N',3,6-tetraethyl-N-(2-methoxyethyl)-N'-methyloctane-1,8-diamine is CCC(CCC(CC)CCN(CC)CCOC)CCN(C)CC.
What is the InChIKey of N,N',3,6-tetraethyl-N-(2-methoxyethyl)-N'-methyloctane-1,8-diamine?
The InChIKey is LCPKDQFLENRYEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H44N2O/c1-7-19(13-15-21(5)9-3)11-12-20(8-2)14-16-22(10-4)17-18-23-6/h19-20H,7-18H2,1-6H3.
What are the key properties of N,N',3,6-tetraethyl-N-(2-methoxyethyl)-N'-methyloctane-1,8-diamine?
N,N',3,6-tetraethyl-N-(2-methoxyethyl)-N'-methyloctane-1,8-diamine has a molecular weight of 328.59 g/mol, XLogP of 4.52, 16 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N',3,6-tetraethyl-N-(2-methoxyethyl)-N'-methyloctane-1,8-diamine is sourced from PubChem (CID 59123489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).