2-[2-(dimethylamino)ethyl-methylamino]ethyl 1-phenylcyclopentane-1-carboxylate

C19H30N2O2 — CID 25066162

IUPAC2-[2-(dimethylamino)ethyl-methylamino]ethyl 1-phenylcyclopentane-1-carboxylate
SMILESCN(C)CCN(C)CCOC(=O)C1(c2ccccc2)CCCC1
InChIInChI=1S/C19H30N2O2/c1-20(2)13-14-21(3)15-16-23-18(22)19(11-7-8-12-19)17-9-5-4-6-10-17/h4-6,9-10H,7-8,11-16H2,1-3H3
InChIKeyIFOUOWCNRJYMDG-UHFFFAOYSA-N
MW318.46 g/mol
LogP2.54
Rot. Bonds8

About 2-[2-(dimethylamino)ethyl-methylamino]ethyl 1-phenylcyclopentane-1-carboxylate

2-[2-(dimethylamino)ethyl-methylamino]ethyl 1-phenylcyclopentane-1-carboxylate (PubChem CID 25066162) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethyl-methylamino]ethyl 1-phenylcyclopentane-1-carboxylate.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethyl-methylamino]ethyl 1-phenylcyclopentane-1-carboxylate
PubChem CID25066162
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC Name2-[2-(dimethylamino)ethyl-methylamino]ethyl 1-phenylcyclopentane-1-carboxylate
SMILESCN(C)CCN(C)CCOC(=O)C1(c2ccccc2)CCCC1
InChIInChI=1S/C19H30N2O2/c1-20(2)13-14-21(3)15-16-23-18(22)19(11-7-8-12-19)17-9-5-4-6-10-17/h4-6,9-10H,7-8,11-16H2,1-3H3
InChIKeyIFOUOWCNRJYMDG-UHFFFAOYSA-N
XLogP2.54
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[2-(dimethylamino)ethyl-methylamino]ethyl 1-phenylcyclopentane-1-carboxylate 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 2-[2-(dimethylamino)ethyl-methylamino]ethyl 1-phenylcyclopentane-1-carboxylate?
The IUPAC name of 2-[2-(dimethylamino)ethyl-methylamino]ethyl 1-phenylcyclopentane-1-carboxylate (CID 25066162) is 2-[2-(dimethylamino)ethyl-methylamino]ethyl 1-phenylcyclopentane-1-carboxylate.
What is the SMILES notation for 2-[2-(dimethylamino)ethyl-methylamino]ethyl 1-phenylcyclopentane-1-carboxylate?
The canonical SMILES for 2-[2-(dimethylamino)ethyl-methylamino]ethyl 1-phenylcyclopentane-1-carboxylate is CN(C)CCN(C)CCOC(=O)C1(c2ccccc2)CCCC1.
What is the InChIKey of 2-[2-(dimethylamino)ethyl-methylamino]ethyl 1-phenylcyclopentane-1-carboxylate?
The InChIKey is IFOUOWCNRJYMDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-20(2)13-14-21(3)15-16-23-18(22)19(11-7-8-12-19)17-9-5-4-6-10-17/h4-6,9-10H,7-8,11-16H2,1-3H3.
What are the key properties of 2-[2-(dimethylamino)ethyl-methylamino]ethyl 1-phenylcyclopentane-1-carboxylate?
2-[2-(dimethylamino)ethyl-methylamino]ethyl 1-phenylcyclopentane-1-carboxylate has a molecular weight of 318.46 g/mol, XLogP of 2.54, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethyl-methylamino]ethyl 1-phenylcyclopentane-1-carboxylate is sourced from PubChem (CID 25066162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).