N'-ethyl-N-methyl-N-[2-(4-methylpentoxy)ethyl]-N'-(2-methylpropyl)ethane-1,2-diamine

C17H38N2O — CID 164557293

IUPACN'-ethyl-N-methyl-N-[2-(4-methylpentoxy)ethyl]-N'-(2-methylpropyl)ethane-1,2-diamine
SMILESCCN(CCN(C)CCOCCCC(C)C)CC(C)C
InChIInChI=1S/C17H38N2O/c1-7-19(15-17(4)5)11-10-18(6)12-14-20-13-8-9-16(2)3/h16-17H,7-15H2,1-6H3
InChIKeyJSMXTVWHTJXRLZ-UHFFFAOYSA-N
MW286.50 g/mol
LogP3.35
Rot. Bonds13

About N'-ethyl-N-methyl-N-[2-(4-methylpentoxy)ethyl]-N'-(2-methylpropyl)ethane-1,2-diamine

N'-ethyl-N-methyl-N-[2-(4-methylpentoxy)ethyl]-N'-(2-methylpropyl)ethane-1,2-diamine (PubChem CID 164557293) has the molecular formula C17H38N2O and a molecular weight of 286.50 g/mol. Its IUPAC name is N'-ethyl-N-methyl-N-[2-(4-methylpentoxy)ethyl]-N'-(2-methylpropyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-ethyl-N-methyl-N-[2-(4-methylpentoxy)ethyl]-N'-(2-methylpropyl)ethane-1,2-diamine
PubChem CID164557293
Molecular FormulaC17H38N2O
Molecular Weight286.50 g/mol
Exact Mass286.30
IUPAC NameN'-ethyl-N-methyl-N-[2-(4-methylpentoxy)ethyl]-N'-(2-methylpropyl)ethane-1,2-diamine
SMILESCCN(CCN(C)CCOCCCC(C)C)CC(C)C
InChIInChI=1S/C17H38N2O/c1-7-19(15-17(4)5)11-10-18(6)12-14-20-13-8-9-16(2)3/h16-17H,7-15H2,1-6H3
InChIKeyJSMXTVWHTJXRLZ-UHFFFAOYSA-N
XLogP3.35
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.50
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-1-(2-methylbutoxy)butane;N,N,N',N'-tetrakis(2-methylpropyl)ethane-1,2-diamine
CID 54515766
1-(2-Methoxyethyl)-4-[2-(4-methylpentoxy)ethyl]piperazine
CID 138647904
N,2-dimethyl-N-[2-(4-methylpentoxy)ethyl]propan-1-amine
CID 138727096
1-[2-(4-Methylpentoxy)ethyl]-4-(2-methylpropyl)piperazine
CID 138727344
N,3-dimethyl-N-[2-(4-methylpentoxy)ethyl]butan-1-amine
CID 141688304
1-Ethyl-4-[2-(4-methylpentoxy)ethyl]piperazine
CID 142616300
N-methyl-N-[2-(4-methylpentoxy)ethyl]propan-1-amine
CID 142623169
Ethane;1-ethyl-4-[2-(4-methylpentoxy)ethyl]piperazine
CID 155740768
N-ethyl-N-methyl-2-(4-methylpentoxy)ethanamine
CID 155741077
N'-(2-butoxyethyl)-N'-ethyl-N,N-dimethylethane-1,2-diamine;2-methylpropane
CID 155751068
4-Ethyl-9-(4-methylpentyl)-1-oxa-4,9-diazacycloundecane
CID 155752244
1-Methyl-4-[2-(2-methylpentoxy)ethyl]piperazine
CID 156227508

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N-methyl-N-[2-(4-methylpentoxy)ethyl]-N'-(2-methylpropyl)ethane-1,2-diamine?
The IUPAC name of N'-ethyl-N-methyl-N-[2-(4-methylpentoxy)ethyl]-N'-(2-methylpropyl)ethane-1,2-diamine (CID 164557293) is N'-ethyl-N-methyl-N-[2-(4-methylpentoxy)ethyl]-N'-(2-methylpropyl)ethane-1,2-diamine.
What is the SMILES notation for N'-ethyl-N-methyl-N-[2-(4-methylpentoxy)ethyl]-N'-(2-methylpropyl)ethane-1,2-diamine?
The canonical SMILES for N'-ethyl-N-methyl-N-[2-(4-methylpentoxy)ethyl]-N'-(2-methylpropyl)ethane-1,2-diamine is CCN(CCN(C)CCOCCCC(C)C)CC(C)C.
What is the InChIKey of N'-ethyl-N-methyl-N-[2-(4-methylpentoxy)ethyl]-N'-(2-methylpropyl)ethane-1,2-diamine?
The InChIKey is JSMXTVWHTJXRLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H38N2O/c1-7-19(15-17(4)5)11-10-18(6)12-14-20-13-8-9-16(2)3/h16-17H,7-15H2,1-6H3.
What are the key properties of N'-ethyl-N-methyl-N-[2-(4-methylpentoxy)ethyl]-N'-(2-methylpropyl)ethane-1,2-diamine?
N'-ethyl-N-methyl-N-[2-(4-methylpentoxy)ethyl]-N'-(2-methylpropyl)ethane-1,2-diamine has a molecular weight of 286.50 g/mol, XLogP of 3.35, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N-methyl-N-[2-(4-methylpentoxy)ethyl]-N'-(2-methylpropyl)ethane-1,2-diamine is sourced from PubChem (CID 164557293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).