2-[4,5-di(propan-2-yl)cyclopenta-1,4-dien-1-yl]-N,N-dimethylethanamine

C15H27N — CID 54062670

IUPAC2-[4,5-di(propan-2-yl)cyclopenta-1,4-dien-1-yl]-N,N-dimethylethanamine
SMILESCC(C)C1=C(C(C)C)C(CCN(C)C)=CC1
InChIInChI=1S/C15H27N/c1-11(2)14-8-7-13(9-10-16(5)6)15(14)12(3)4/h7,11-12H,8-10H2,1-6H3
InChIKeyMAVBMMCXHRNYLD-UHFFFAOYSA-N
MW221.39 g/mol
LogP3.88
Rot. Bonds5

About 2-[4,5-di(propan-2-yl)cyclopenta-1,4-dien-1-yl]-N,N-dimethylethanamine

2-[4,5-di(propan-2-yl)cyclopenta-1,4-dien-1-yl]-N,N-dimethylethanamine (PubChem CID 54062670) has the molecular formula C15H27N and a molecular weight of 221.39 g/mol. Its IUPAC name is 2-[4,5-di(propan-2-yl)cyclopenta-1,4-dien-1-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[4,5-di(propan-2-yl)cyclopenta-1,4-dien-1-yl]-N,N-dimethylethanamine
PubChem CID54062670
Molecular FormulaC15H27N
Molecular Weight221.39 g/mol
Exact Mass221.21
IUPAC Name2-[4,5-di(propan-2-yl)cyclopenta-1,4-dien-1-yl]-N,N-dimethylethanamine
SMILESCC(C)C1=C(C(C)C)C(CCN(C)C)=CC1
InChIInChI=1S/C15H27N/c1-11(2)14-8-7-13(9-10-16(5)6)15(14)12(3)4/h7,11-12H,8-10H2,1-6H3
InChIKeyMAVBMMCXHRNYLD-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

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Frequently Asked Questions

What is the IUPAC name of 2-[4,5-di(propan-2-yl)cyclopenta-1,4-dien-1-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[4,5-di(propan-2-yl)cyclopenta-1,4-dien-1-yl]-N,N-dimethylethanamine (CID 54062670) is 2-[4,5-di(propan-2-yl)cyclopenta-1,4-dien-1-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[4,5-di(propan-2-yl)cyclopenta-1,4-dien-1-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[4,5-di(propan-2-yl)cyclopenta-1,4-dien-1-yl]-N,N-dimethylethanamine is CC(C)C1=C(C(C)C)C(CCN(C)C)=CC1.
What is the InChIKey of 2-[4,5-di(propan-2-yl)cyclopenta-1,4-dien-1-yl]-N,N-dimethylethanamine?
The InChIKey is MAVBMMCXHRNYLD-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/h7,11-12H,8-10H2,1-6H3.
What are the key properties of 2-[4,5-di(propan-2-yl)cyclopenta-1,4-dien-1-yl]-N,N-dimethylethanamine?
2-[4,5-di(propan-2-yl)cyclopenta-1,4-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-[4,5-di(propan-2-yl)cyclopenta-1,4-dien-1-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 54062670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).