N',N'-dimethyl-N-(2-pentoxyethyl)ethane-1,2-diamine

C11H26N2O — CID 62584513

IUPACN',N'-dimethyl-N-(2-pentoxyethyl)ethane-1,2-diamine
SMILESCCCCCOCCNCCN(C)C
InChIInChI=1S/C11H26N2O/c1-4-5-6-10-14-11-8-12-7-9-13(2)3/h12H,4-11H2,1-3H3
InChIKeyJPOKBKIZZZXIID-UHFFFAOYSA-N
MW202.34 g/mol
LogP1.34
Rot. Bonds10

About N',N'-dimethyl-N-(2-pentoxyethyl)ethane-1,2-diamine

N',N'-dimethyl-N-(2-pentoxyethyl)ethane-1,2-diamine (PubChem CID 62584513) has the molecular formula C11H26N2O and a molecular weight of 202.34 g/mol. Its IUPAC name is N',N'-dimethyl-N-(2-pentoxyethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-(2-pentoxyethyl)ethane-1,2-diamine
PubChem CID62584513
Molecular FormulaC11H26N2O
Molecular Weight202.34 g/mol
Exact Mass202.20
IUPAC NameN',N'-dimethyl-N-(2-pentoxyethyl)ethane-1,2-diamine
SMILESCCCCCOCCNCCN(C)C
InChIInChI=1S/C11H26N2O/c1-4-5-6-10-14-11-8-12-7-9-13(2)3/h12H,4-11H2,1-3H3
InChIKeyJPOKBKIZZZXIID-UHFFFAOYSA-N
XLogP1.34
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethyl-3-[2-(propylamino)ethoxy]propan-1-amine
CID 55210850
2-octadecoxy-N-(2-octadecoxyethyl)ethanamine;hydrochloride
CID 175378194
N-(2-pentoxyethyl)butan-1-amine
CID 54396114
ethane;N'-methyl-N-[2-(2-pentoxyethoxy)ethyl]-N'-propan-2-ylethane-1,2-diamine
CID 164907050
N-(2-undecoxyethyl)propan-1-amine
CID 22091510
2-ethoxy-N-(2-octoxyethyl)ethanamine
CID 62597622
N',N'-dimethyl-N-tetradecylethane-1,2-diamine
CID 15792996
4-[3-(dimethylamino)propoxy]-N-propylbutan-1-amine
CID 62458821
N-butyl-N',N'-dimethylethane-1,2-diamine
CID 16781457
2-(4-propoxybutoxy)-N-[2-(4-propoxybutoxy)ethyl]ethanamine
CID 87914124
5-[2-(dimethylamino)ethoxy]-N-propylpentan-1-amine
CID 62458591
N-(2-butoxyethyl)heptan-1-amine
CID 61168932

Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-(2-pentoxyethyl)ethane-1,2-diamine?
The IUPAC name of N',N'-dimethyl-N-(2-pentoxyethyl)ethane-1,2-diamine (CID 62584513) is N',N'-dimethyl-N-(2-pentoxyethyl)ethane-1,2-diamine.
What is the SMILES notation for N',N'-dimethyl-N-(2-pentoxyethyl)ethane-1,2-diamine?
The canonical SMILES for N',N'-dimethyl-N-(2-pentoxyethyl)ethane-1,2-diamine is CCCCCOCCNCCN(C)C.
What is the InChIKey of N',N'-dimethyl-N-(2-pentoxyethyl)ethane-1,2-diamine?
The InChIKey is JPOKBKIZZZXIID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2O/c1-4-5-6-10-14-11-8-12-7-9-13(2)3/h12H,4-11H2,1-3H3.
What are the key properties of N',N'-dimethyl-N-(2-pentoxyethyl)ethane-1,2-diamine?
N',N'-dimethyl-N-(2-pentoxyethyl)ethane-1,2-diamine has a molecular weight of 202.34 g/mol, XLogP of 1.34, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-(2-pentoxyethyl)ethane-1,2-diamine is sourced from PubChem (CID 62584513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).