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

C16H36N2O — CID 20758268

IUPACN'-(2-methoxyethyl)-N,N,N',3,6-pentamethyloctane-1,8-diamine
SMILESCOCCN(C)CCC(C)CCC(C)CCN(C)C
InChIInChI=1S/C16H36N2O/c1-15(9-11-17(3)4)7-8-16(2)10-12-18(5)13-14-19-6/h15-16H,7-14H2,1-6H3
InChIKeyYIGFDXGRYDCWGC-UHFFFAOYSA-N
MW272.48 g/mol
LogP2.96
Rot. Bonds12

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

N'-(2-methoxyethyl)-N,N,N',3,6-pentamethyloctane-1,8-diamine (PubChem CID 20758268) has the molecular formula C16H36N2O and a molecular weight of 272.48 g/mol. Its IUPAC name is N'-(2-methoxyethyl)-N,N,N',3,6-pentamethyloctane-1,8-diamine.

Molecular Properties

Compound NameN'-(2-methoxyethyl)-N,N,N',3,6-pentamethyloctane-1,8-diamine
PubChem CID20758268
Molecular FormulaC16H36N2O
Molecular Weight272.48 g/mol
Exact Mass272.28
IUPAC NameN'-(2-methoxyethyl)-N,N,N',3,6-pentamethyloctane-1,8-diamine
SMILESCOCCN(C)CCC(C)CCC(C)CCN(C)C
InChIInChI=1S/C16H36N2O/c1-15(9-11-17(3)4)7-8-16(2)10-12-18(5)13-14-19-6/h15-16H,7-14H2,1-6H3
InChIKeyYIGFDXGRYDCWGC-UHFFFAOYSA-N
XLogP2.96
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.48
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N'-(2-methoxyethyl)-N,N,N',3,6-pentamethyloctane-1,8-diamine?
The IUPAC name of N'-(2-methoxyethyl)-N,N,N',3,6-pentamethyloctane-1,8-diamine (CID 20758268) is N'-(2-methoxyethyl)-N,N,N',3,6-pentamethyloctane-1,8-diamine.
What is the SMILES notation for N'-(2-methoxyethyl)-N,N,N',3,6-pentamethyloctane-1,8-diamine?
The canonical SMILES for N'-(2-methoxyethyl)-N,N,N',3,6-pentamethyloctane-1,8-diamine is COCCN(C)CCC(C)CCC(C)CCN(C)C.
What is the InChIKey of N'-(2-methoxyethyl)-N,N,N',3,6-pentamethyloctane-1,8-diamine?
The InChIKey is YIGFDXGRYDCWGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36N2O/c1-15(9-11-17(3)4)7-8-16(2)10-12-18(5)13-14-19-6/h15-16H,7-14H2,1-6H3.
What are the key properties of N'-(2-methoxyethyl)-N,N,N',3,6-pentamethyloctane-1,8-diamine?
N'-(2-methoxyethyl)-N,N,N',3,6-pentamethyloctane-1,8-diamine has a molecular weight of 272.48 g/mol, XLogP of 2.96, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methoxyethyl)-N,N,N',3,6-pentamethyloctane-1,8-diamine is sourced from PubChem (CID 20758268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).