N'-(2-ethoxyethyl)-N-ethyl-N'-methylbutane-1,4-diamine

C11H26N2O — CID 81068457

IUPACN'-(2-ethoxyethyl)-N-ethyl-N'-methylbutane-1,4-diamine
SMILESCCNCCCCN(C)CCOCC
InChIInChI=1S/C11H26N2O/c1-4-12-8-6-7-9-13(3)10-11-14-5-2/h12H,4-11H2,1-3H3
InChIKeyCGGXSCPEQXHFOO-UHFFFAOYSA-N
MW202.34 g/mol
LogP1.34
Rot. Bonds10

About N'-(2-ethoxyethyl)-N-ethyl-N'-methylbutane-1,4-diamine

N'-(2-ethoxyethyl)-N-ethyl-N'-methylbutane-1,4-diamine (PubChem CID 81068457) has the molecular formula C11H26N2O and a molecular weight of 202.34 g/mol. Its IUPAC name is N'-(2-ethoxyethyl)-N-ethyl-N'-methylbutane-1,4-diamine.

Molecular Properties

Compound NameN'-(2-ethoxyethyl)-N-ethyl-N'-methylbutane-1,4-diamine
PubChem CID81068457
Molecular FormulaC11H26N2O
Molecular Weight202.34 g/mol
Exact Mass202.20
IUPAC NameN'-(2-ethoxyethyl)-N-ethyl-N'-methylbutane-1,4-diamine
SMILESCCNCCCCN(C)CCOCC
InChIInChI=1S/C11H26N2O/c1-4-12-8-6-7-9-13(3)10-11-14-5-2/h12H,4-11H2,1-3H3
InChIKeyCGGXSCPEQXHFOO-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'-(4-ethoxybutyl)-N-ethyl-N'-methylbutane-1,4-diamine
CID 156884771
N'-(2-ethoxyethyl)-N-(2-methoxyethyl)-N'-methylbutane-1,4-diamine
CID 81068399
N,N'-diethyl-N'-methylbutane-1,4-diamine
CID 62418557
N-ethyl-N'-methyl-N'-pentylpropane-1,3-diamine
CID 61386627
ethane;N-[2-[2-(ethylamino)ethoxy]ethyl]-N-methylpropan-1-amine
CID 155751833
N'-butyl-N-ethyl-N'-methylpropane-1,3-diamine
CID 61386866
2-[2-[2-(ethylamino)ethyl-methylamino]ethoxy]ethanol
CID 142883467
ethane;N'-[4-(ethylamino)butyl]-N'-methylbutane-1,4-diamine;molecular hydrogen
CID 145215099
6-[2-ethoxyethyl(methyl)amino]-2-(ethylamino)-2-methylhexan-1-ol
CID 81065078
N'-decyl-N-ethyl-N'-methylethane-1,2-diamine
CID 63526975
2-ethoxy-N-ethylethanamine;hydrochloride
CID 86621180
N-ethyl-N'-methyl-N'-(2,2,2-trifluoroethyl)butane-1,4-diamine
CID 62427958

Frequently Asked Questions

What is the IUPAC name of N'-(2-ethoxyethyl)-N-ethyl-N'-methylbutane-1,4-diamine?
The IUPAC name of N'-(2-ethoxyethyl)-N-ethyl-N'-methylbutane-1,4-diamine (CID 81068457) is N'-(2-ethoxyethyl)-N-ethyl-N'-methylbutane-1,4-diamine.
What is the SMILES notation for N'-(2-ethoxyethyl)-N-ethyl-N'-methylbutane-1,4-diamine?
The canonical SMILES for N'-(2-ethoxyethyl)-N-ethyl-N'-methylbutane-1,4-diamine is CCNCCCCN(C)CCOCC.
What is the InChIKey of N'-(2-ethoxyethyl)-N-ethyl-N'-methylbutane-1,4-diamine?
The InChIKey is CGGXSCPEQXHFOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2O/c1-4-12-8-6-7-9-13(3)10-11-14-5-2/h12H,4-11H2,1-3H3.
What are the key properties of N'-(2-ethoxyethyl)-N-ethyl-N'-methylbutane-1,4-diamine?
N'-(2-ethoxyethyl)-N-ethyl-N'-methylbutane-1,4-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'-(2-ethoxyethyl)-N-ethyl-N'-methylbutane-1,4-diamine is sourced from PubChem (CID 81068457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).