N-(4-ethoxybutyl)-N'-methyl-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine

C15H33N3O — CID 63208969

IUPACN-(4-ethoxybutyl)-N'-methyl-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine
SMILESCCOCCCCNCCN(C)CCN1CCCC1
InChIInChI=1S/C15H33N3O/c1-3-19-15-7-4-8-16-9-12-17(2)13-14-18-10-5-6-11-18/h16H,3-15H2,1-2H3
InChIKeyLKQZZFOTDQGNEI-UHFFFAOYSA-N
MW271.45 g/mol
LogP1.42
Rot. Bonds12

About N-(4-ethoxybutyl)-N'-methyl-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine

N-(4-ethoxybutyl)-N'-methyl-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine (PubChem CID 63208969) has the molecular formula C15H33N3O and a molecular weight of 271.45 g/mol. Its IUPAC name is N-(4-ethoxybutyl)-N'-methyl-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(4-ethoxybutyl)-N'-methyl-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine
PubChem CID63208969
Molecular FormulaC15H33N3O
Molecular Weight271.45 g/mol
Exact Mass271.26
IUPAC NameN-(4-ethoxybutyl)-N'-methyl-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine
SMILESCCOCCCCNCCN(C)CCN1CCCC1
InChIInChI=1S/C15H33N3O/c1-3-19-15-7-4-8-16-9-12-17(2)13-14-18-10-5-6-11-18/h16H,3-15H2,1-2H3
InChIKeyLKQZZFOTDQGNEI-UHFFFAOYSA-N
XLogP1.42
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.45
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-pyrrolidin-1-ylpropyl)ethane-1,2-diamine
CID 62636776
N-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]ethyl]-4-ethoxybutan-1-amine
CID 62554227
4-ethoxy-N-[2-(4-methylpiperidin-1-yl)ethyl]butan-1-amine
CID 62575512
N-[2-[4-[2-[methyl(pentyl)amino]ethyl]piperazin-1-yl]ethyl]heptan-1-amine
CID 143882413
N'-(4-ethoxybutyl)-N-ethyl-N'-methylbutane-1,4-diamine
CID 156884771
N-(2-ethoxyethyl)-2-piperidin-1-ylethanamine
CID 60697193
N,N'-dimethyl-N'-[2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethyl]ethane-1,2-diamine
CID 10105808
N,N'-dimethyl-N'-[2-[methyl-[2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethyl]amino]ethyl]ethane-1,2-diamine
CID 10266776
4-ethoxy-N-[2-(4-ethoxypiperidin-1-yl)ethyl]butan-1-amine
CID 62560342
N'-(3-ethoxypropyl)-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 65175029
1-[3-(2-ethoxyethoxy)propyl]pyrrolidine
CID 58400633
N-[2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]ethyl]-4-ethoxybutan-1-amine
CID 62887865

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxybutyl)-N'-methyl-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine?
The IUPAC name of N-(4-ethoxybutyl)-N'-methyl-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine (CID 63208969) is N-(4-ethoxybutyl)-N'-methyl-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine.
What is the SMILES notation for N-(4-ethoxybutyl)-N'-methyl-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine?
The canonical SMILES for N-(4-ethoxybutyl)-N'-methyl-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine is CCOCCCCNCCN(C)CCN1CCCC1.
What is the InChIKey of N-(4-ethoxybutyl)-N'-methyl-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine?
The InChIKey is LKQZZFOTDQGNEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N3O/c1-3-19-15-7-4-8-16-9-12-17(2)13-14-18-10-5-6-11-18/h16H,3-15H2,1-2H3.
What are the key properties of N-(4-ethoxybutyl)-N'-methyl-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine?
N-(4-ethoxybutyl)-N'-methyl-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine has a molecular weight of 271.45 g/mol, XLogP of 1.42, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxybutyl)-N'-methyl-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine is sourced from PubChem (CID 63208969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).