2-[2,3-di(propan-2-yl)cyclopenta-1,3-dien-1-yl]-N,N-dimethylethanamine

C15H27N — CID 23286761

IUPAC2-[2,3-di(propan-2-yl)cyclopenta-1,3-dien-1-yl]-N,N-dimethylethanamine
SMILESCC(C)C1=CCC(CCN(C)C)=C1C(C)C
InChIInChI=1S/C15H27N/c1-11(2)14-8-7-13(9-10-16(5)6)15(14)12(3)4/h8,11-12H,7,9-10H2,1-6H3
InChIKeyPZXIGZSCDIPMNA-UHFFFAOYSA-N
MW221.39 g/mol
LogP3.88
Rot. Bonds5

About 2-[2,3-di(propan-2-yl)cyclopenta-1,3-dien-1-yl]-N,N-dimethylethanamine

2-[2,3-di(propan-2-yl)cyclopenta-1,3-dien-1-yl]-N,N-dimethylethanamine (PubChem CID 23286761) has the molecular formula C15H27N and a molecular weight of 221.39 g/mol. Its IUPAC name is 2-[2,3-di(propan-2-yl)cyclopenta-1,3-dien-1-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[2,3-di(propan-2-yl)cyclopenta-1,3-dien-1-yl]-N,N-dimethylethanamine
PubChem CID23286761
Molecular FormulaC15H27N
Molecular Weight221.39 g/mol
Exact Mass221.21
IUPAC Name2-[2,3-di(propan-2-yl)cyclopenta-1,3-dien-1-yl]-N,N-dimethylethanamine
SMILESCC(C)C1=CCC(CCN(C)C)=C1C(C)C
InChIInChI=1S/C15H27N/c1-11(2)14-8-7-13(9-10-16(5)6)15(14)12(3)4/h8,11-12H,7,9-10H2,1-6H3
InChIKeyPZXIGZSCDIPMNA-UHFFFAOYSA-N
XLogP3.88
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.39
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-[2,3-di(propan-2-yl)cyclopenta-1,3-dien-1-yl]-N,N-dimethylethanamine 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-[2,3-di(propan-2-yl)cyclopenta-1,3-dien-1-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[2,3-di(propan-2-yl)cyclopenta-1,3-dien-1-yl]-N,N-dimethylethanamine (CID 23286761) is 2-[2,3-di(propan-2-yl)cyclopenta-1,3-dien-1-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[2,3-di(propan-2-yl)cyclopenta-1,3-dien-1-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[2,3-di(propan-2-yl)cyclopenta-1,3-dien-1-yl]-N,N-dimethylethanamine is CC(C)C1=CCC(CCN(C)C)=C1C(C)C.
What is the InChIKey of 2-[2,3-di(propan-2-yl)cyclopenta-1,3-dien-1-yl]-N,N-dimethylethanamine?
The InChIKey is PZXIGZSCDIPMNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N/c1-11(2)14-8-7-13(9-10-16(5)6)15(14)12(3)4/h8,11-12H,7,9-10H2,1-6H3.
What are the key properties of 2-[2,3-di(propan-2-yl)cyclopenta-1,3-dien-1-yl]-N,N-dimethylethanamine?
2-[2,3-di(propan-2-yl)cyclopenta-1,3-dien-1-yl]-N,N-dimethylethanamine has a molecular weight of 221.39 g/mol, XLogP of 3.88, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,3-di(propan-2-yl)cyclopenta-1,3-dien-1-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 23286761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).