N,N-dimethyl-2-(1,2,3,5-tetramethylcyclopenta-2,4-dien-1-yl)ethanamine

C13H23N — CID 15657127

IUPACN,N-dimethyl-2-(1,2,3,5-tetramethylcyclopenta-2,4-dien-1-yl)ethanamine
SMILESCC1=CC(C)=C(C)C1(C)CCN(C)C
InChIInChI=1S/C13H23N/c1-10-9-11(2)13(4,12(10)3)7-8-14(5)6/h9H,7-8H2,1-6H3
InChIKeyLBBUDMCIYWBXOI-UHFFFAOYSA-N
MW193.33 g/mol
LogP3.24
Rot. Bonds3

About N,N-dimethyl-2-(1,2,3,5-tetramethylcyclopenta-2,4-dien-1-yl)ethanamine

N,N-dimethyl-2-(1,2,3,5-tetramethylcyclopenta-2,4-dien-1-yl)ethanamine (PubChem CID 15657127) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is N,N-dimethyl-2-(1,2,3,5-tetramethylcyclopenta-2,4-dien-1-yl)ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-(1,2,3,5-tetramethylcyclopenta-2,4-dien-1-yl)ethanamine
PubChem CID15657127
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC NameN,N-dimethyl-2-(1,2,3,5-tetramethylcyclopenta-2,4-dien-1-yl)ethanamine
SMILESCC1=CC(C)=C(C)C1(C)CCN(C)C
InChIInChI=1S/C13H23N/c1-10-9-11(2)13(4,12(10)3)7-8-14(5)6/h9H,7-8H2,1-6H3
InChIKeyLBBUDMCIYWBXOI-UHFFFAOYSA-N
XLogP3.24
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N,N-dimethyl-2-(1,2,3,5-tetramethylcyclopenta-2,4-dien-1-yl)ethanamine 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-dimethyl-2-(1,2,3,5-tetramethylcyclopenta-2,4-dien-1-yl)ethanamine?
The IUPAC name of N,N-dimethyl-2-(1,2,3,5-tetramethylcyclopenta-2,4-dien-1-yl)ethanamine (CID 15657127) is N,N-dimethyl-2-(1,2,3,5-tetramethylcyclopenta-2,4-dien-1-yl)ethanamine.
What is the SMILES notation for N,N-dimethyl-2-(1,2,3,5-tetramethylcyclopenta-2,4-dien-1-yl)ethanamine?
The canonical SMILES for N,N-dimethyl-2-(1,2,3,5-tetramethylcyclopenta-2,4-dien-1-yl)ethanamine is CC1=CC(C)=C(C)C1(C)CCN(C)C.
What is the InChIKey of N,N-dimethyl-2-(1,2,3,5-tetramethylcyclopenta-2,4-dien-1-yl)ethanamine?
The InChIKey is LBBUDMCIYWBXOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N/c1-10-9-11(2)13(4,12(10)3)7-8-14(5)6/h9H,7-8H2,1-6H3.
What are the key properties of N,N-dimethyl-2-(1,2,3,5-tetramethylcyclopenta-2,4-dien-1-yl)ethanamine?
N,N-dimethyl-2-(1,2,3,5-tetramethylcyclopenta-2,4-dien-1-yl)ethanamine has a molecular weight of 193.33 g/mol, XLogP of 3.24, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(1,2,3,5-tetramethylcyclopenta-2,4-dien-1-yl)ethanamine is sourced from PubChem (CID 15657127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).