N-[2-(diethylamino)ethyl]-N'-methyl-N'-(3-methylbutan-2-yl)ethane-1,2-diamine

C14H33N3 — CID 55089958

IUPACN-[2-(diethylamino)ethyl]-N'-methyl-N'-(3-methylbutan-2-yl)ethane-1,2-diamine
SMILESCCN(CC)CCNCCN(C)C(C)C(C)C
InChIInChI=1S/C14H33N3/c1-7-17(8-2)12-10-15-9-11-16(6)14(5)13(3)4/h13-15H,7-12H2,1-6H3
InChIKeyYYMZQFFLHQWTOI-UHFFFAOYSA-N
MW243.44 g/mol
LogP1.89
Rot. Bonds10

About N-[2-(diethylamino)ethyl]-N'-methyl-N'-(3-methylbutan-2-yl)ethane-1,2-diamine

N-[2-(diethylamino)ethyl]-N'-methyl-N'-(3-methylbutan-2-yl)ethane-1,2-diamine (PubChem CID 55089958) has the molecular formula C14H33N3 and a molecular weight of 243.44 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-N'-methyl-N'-(3-methylbutan-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-N'-methyl-N'-(3-methylbutan-2-yl)ethane-1,2-diamine
PubChem CID55089958
Molecular FormulaC14H33N3
Molecular Weight243.44 g/mol
Exact Mass243.27
IUPAC NameN-[2-(diethylamino)ethyl]-N'-methyl-N'-(3-methylbutan-2-yl)ethane-1,2-diamine
SMILESCCN(CC)CCNCCN(C)C(C)C(C)C
InChIInChI=1S/C14H33N3/c1-7-17(8-2)12-10-15-9-11-16(6)14(5)13(3)4/h13-15H,7-12H2,1-6H3
InChIKeyYYMZQFFLHQWTOI-UHFFFAOYSA-N
XLogP1.89
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.44
LogP ≤ 51.89
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-ethyl-N'-methyl-N'-(3-methylbutan-2-yl)ethane-1,2-diamine
CID 61387174
N-[2-(diethylamino)ethyl]-N'-methyl-N'-pentan-2-ylethane-1,2-diamine
CID 55089810
N-(4-ethoxybutyl)-N'-methyl-N'-(3-methylbutan-2-yl)ethane-1,2-diamine
CID 62561753
N',N'-diethyl-N-(3-methyl-2-propan-2-ylbutyl)ethane-1,2-diamine
CID 102905428
N',N'-diethyl-N-[2-(2-methylpropoxy)ethyl]ethane-1,2-diamine
CID 62565030
N-ethyl-N'-methyl-N'-(3-methylbutan-2-yl)butane-1,4-diamine
CID 62432648
N-tert-butyl-N'-methyl-N'-(3-methylbutan-2-yl)ethane-1,2-diamine
CID 61387189
propane;N,N',N'-triethylethane-1,2-diamine
CID 157059256
N'-[2-(diethylamino)ethyl]-2-propan-2-ylpropane-1,3-diamine
CID 107441031
N'-ethyl-N'-(2-methylpropyl)-N-propylethane-1,2-diamine
CID 61386594
N',N'-diethyl-N-[2-(3-methylbutylsulfanyl)ethyl]ethane-1,2-diamine
CID 107757705
N-docosyl-N',N'-diethylethane-1,2-diamine
CID 154021468

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-N'-methyl-N'-(3-methylbutan-2-yl)ethane-1,2-diamine?
The IUPAC name of N-[2-(diethylamino)ethyl]-N'-methyl-N'-(3-methylbutan-2-yl)ethane-1,2-diamine (CID 55089958) is N-[2-(diethylamino)ethyl]-N'-methyl-N'-(3-methylbutan-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-N'-methyl-N'-(3-methylbutan-2-yl)ethane-1,2-diamine?
The canonical SMILES for N-[2-(diethylamino)ethyl]-N'-methyl-N'-(3-methylbutan-2-yl)ethane-1,2-diamine is CCN(CC)CCNCCN(C)C(C)C(C)C.
What is the InChIKey of N-[2-(diethylamino)ethyl]-N'-methyl-N'-(3-methylbutan-2-yl)ethane-1,2-diamine?
The InChIKey is YYMZQFFLHQWTOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H33N3/c1-7-17(8-2)12-10-15-9-11-16(6)14(5)13(3)4/h13-15H,7-12H2,1-6H3.
What are the key properties of N-[2-(diethylamino)ethyl]-N'-methyl-N'-(3-methylbutan-2-yl)ethane-1,2-diamine?
N-[2-(diethylamino)ethyl]-N'-methyl-N'-(3-methylbutan-2-yl)ethane-1,2-diamine has a molecular weight of 243.44 g/mol, XLogP of 1.89, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-N'-methyl-N'-(3-methylbutan-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 55089958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).