N-(4-ethoxybutyl)-N'-methyl-N'-(3-methylbutan-2-yl)ethane-1,2-diamine

C14H32N2O — CID 62561753

IUPACN-(4-ethoxybutyl)-N'-methyl-N'-(3-methylbutan-2-yl)ethane-1,2-diamine
SMILESCCOCCCCNCCN(C)C(C)C(C)C
InChIInChI=1S/C14H32N2O/c1-6-17-12-8-7-9-15-10-11-16(5)14(4)13(2)3/h13-15H,6-12H2,1-5H3
InChIKeyAUFVAJVXTBPCRV-UHFFFAOYSA-N
MW244.42 g/mol
LogP2.37
Rot. Bonds11

About N-(4-ethoxybutyl)-N'-methyl-N'-(3-methylbutan-2-yl)ethane-1,2-diamine

N-(4-ethoxybutyl)-N'-methyl-N'-(3-methylbutan-2-yl)ethane-1,2-diamine (PubChem CID 62561753) has the molecular formula C14H32N2O and a molecular weight of 244.42 g/mol. Its IUPAC name is N-(4-ethoxybutyl)-N'-methyl-N'-(3-methylbutan-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(4-ethoxybutyl)-N'-methyl-N'-(3-methylbutan-2-yl)ethane-1,2-diamine
PubChem CID62561753
Molecular FormulaC14H32N2O
Molecular Weight244.42 g/mol
Exact Mass244.25
IUPAC NameN-(4-ethoxybutyl)-N'-methyl-N'-(3-methylbutan-2-yl)ethane-1,2-diamine
SMILESCCOCCCCNCCN(C)C(C)C(C)C
InChIInChI=1S/C14H32N2O/c1-6-17-12-8-7-9-15-10-11-16(5)14(4)13(2)3/h13-15H,6-12H2,1-5H3
InChIKeyAUFVAJVXTBPCRV-UHFFFAOYSA-N
XLogP2.37
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.42
LogP ≤ 52.37
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-(3-ethoxypropyl)-N'-methyl-N'-(1-methylsulfanylpropan-2-yl)ethane-1,2-diamine
CID 112666209
N-ethyl-N'-methyl-N'-(3-methylbutan-2-yl)ethane-1,2-diamine
CID 61387174
4-ethoxy-N-(2-ethoxyethyl)butan-1-amine
CID 62565193
4-ethoxy-N-[2-(3-methylbutan-2-ylsulfanyl)ethyl]butan-1-amine
CID 107757302
N-ethyl-N'-methyl-N'-(3-methylbutan-2-yl)butane-1,4-diamine
CID 62432648
N-[2-(diethylamino)ethyl]-N'-methyl-N'-(3-methylbutan-2-yl)ethane-1,2-diamine
CID 55089958
1-N-(3-ethoxypropyl)-2-N-methyl-2-N-propylpropane-1,2-diamine
CID 62568786
4-ethoxy-N-(2-methylpropyl)butan-1-amine
CID 60957098
N'-(4-ethoxybutyl)-N-ethyl-N'-methylbutane-1,4-diamine
CID 156884771
N-(3-ethoxypropyl)-N'-methyl-N'-(1-thiophen-2-ylethyl)ethane-1,2-diamine
CID 62556118
7-ethoxy-N-propylheptan-1-amine
CID 163393813
4-ethoxy-N-[2-(2-ethoxyethoxy)ethyl]butan-1-amine
CID 62565012

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxybutyl)-N'-methyl-N'-(3-methylbutan-2-yl)ethane-1,2-diamine?
The IUPAC name of N-(4-ethoxybutyl)-N'-methyl-N'-(3-methylbutan-2-yl)ethane-1,2-diamine (CID 62561753) is N-(4-ethoxybutyl)-N'-methyl-N'-(3-methylbutan-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N-(4-ethoxybutyl)-N'-methyl-N'-(3-methylbutan-2-yl)ethane-1,2-diamine?
The canonical SMILES for N-(4-ethoxybutyl)-N'-methyl-N'-(3-methylbutan-2-yl)ethane-1,2-diamine is CCOCCCCNCCN(C)C(C)C(C)C.
What is the InChIKey of N-(4-ethoxybutyl)-N'-methyl-N'-(3-methylbutan-2-yl)ethane-1,2-diamine?
The InChIKey is AUFVAJVXTBPCRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N2O/c1-6-17-12-8-7-9-15-10-11-16(5)14(4)13(2)3/h13-15H,6-12H2,1-5H3.
What are the key properties of N-(4-ethoxybutyl)-N'-methyl-N'-(3-methylbutan-2-yl)ethane-1,2-diamine?
N-(4-ethoxybutyl)-N'-methyl-N'-(3-methylbutan-2-yl)ethane-1,2-diamine has a molecular weight of 244.42 g/mol, XLogP of 2.37, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxybutyl)-N'-methyl-N'-(3-methylbutan-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 62561753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).