N',N'-diethyl-N-[2-(2-ethyl-5-methylpyrrolidin-1-yl)ethyl]ethane-1,2-diamine

C15H33N3 — CID 83221004

IUPACN',N'-diethyl-N-[2-(2-ethyl-5-methylpyrrolidin-1-yl)ethyl]ethane-1,2-diamine
SMILESCCC1CCC(C)N1CCNCCN(CC)CC
InChIInChI=1S/C15H33N3/c1-5-15-9-8-14(4)18(15)13-11-16-10-12-17(6-2)7-3/h14-16H,5-13H2,1-4H3
InChIKeyLYHWHPSVLHMOPL-UHFFFAOYSA-N
MW255.45 g/mol
LogP2.18
Rot. Bonds9

About N',N'-diethyl-N-[2-(2-ethyl-5-methylpyrrolidin-1-yl)ethyl]ethane-1,2-diamine

N',N'-diethyl-N-[2-(2-ethyl-5-methylpyrrolidin-1-yl)ethyl]ethane-1,2-diamine (PubChem CID 83221004) has the molecular formula C15H33N3 and a molecular weight of 255.45 g/mol. Its IUPAC name is N',N'-diethyl-N-[2-(2-ethyl-5-methylpyrrolidin-1-yl)ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-diethyl-N-[2-(2-ethyl-5-methylpyrrolidin-1-yl)ethyl]ethane-1,2-diamine
PubChem CID83221004
Molecular FormulaC15H33N3
Molecular Weight255.45 g/mol
Exact Mass255.27
IUPAC NameN',N'-diethyl-N-[2-(2-ethyl-5-methylpyrrolidin-1-yl)ethyl]ethane-1,2-diamine
SMILESCCC1CCC(C)N1CCNCCN(CC)CC
InChIInChI=1S/C15H33N3/c1-5-15-9-8-14(4)18(15)13-11-16-10-12-17(6-2)7-3/h14-16H,5-13H2,1-4H3
InChIKeyLYHWHPSVLHMOPL-UHFFFAOYSA-N
XLogP2.18
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N',N'-diethyl-N-[2-(2-ethyl-5-methylpyrrolidin-1-yl)ethyl]ethane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-N-[2-(2-ethyl-5-methylpyrrolidin-1-yl)ethyl]ethane-1,2-diamine?
The IUPAC name of N',N'-diethyl-N-[2-(2-ethyl-5-methylpyrrolidin-1-yl)ethyl]ethane-1,2-diamine (CID 83221004) is N',N'-diethyl-N-[2-(2-ethyl-5-methylpyrrolidin-1-yl)ethyl]ethane-1,2-diamine.
What is the SMILES notation for N',N'-diethyl-N-[2-(2-ethyl-5-methylpyrrolidin-1-yl)ethyl]ethane-1,2-diamine?
The canonical SMILES for N',N'-diethyl-N-[2-(2-ethyl-5-methylpyrrolidin-1-yl)ethyl]ethane-1,2-diamine is CCC1CCC(C)N1CCNCCN(CC)CC.
What is the InChIKey of N',N'-diethyl-N-[2-(2-ethyl-5-methylpyrrolidin-1-yl)ethyl]ethane-1,2-diamine?
The InChIKey is LYHWHPSVLHMOPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N3/c1-5-15-9-8-14(4)18(15)13-11-16-10-12-17(6-2)7-3/h14-16H,5-13H2,1-4H3.
What are the key properties of N',N'-diethyl-N-[2-(2-ethyl-5-methylpyrrolidin-1-yl)ethyl]ethane-1,2-diamine?
N',N'-diethyl-N-[2-(2-ethyl-5-methylpyrrolidin-1-yl)ethyl]ethane-1,2-diamine has a molecular weight of 255.45 g/mol, XLogP of 2.18, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-N-[2-(2-ethyl-5-methylpyrrolidin-1-yl)ethyl]ethane-1,2-diamine is sourced from PubChem (CID 83221004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).