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

C15H27N — CID 23295298

IUPAC1-[4,5-di(propan-2-yl)cyclopenta-1,4-dien-1-yl]-N,N-dimethylethanamine
SMILESCC(C)C1=C(C(C)C)C(C(C)N(C)C)=CC1
InChIInChI=1S/C15H27N/c1-10(2)13-8-9-14(12(5)16(6)7)15(13)11(3)4/h9-12H,8H2,1-7H3
InChIKeyOQSYEKJTMSVBCF-UHFFFAOYSA-N
MW221.39 g/mol
LogP3.88
Rot. Bonds4

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

1-[4,5-di(propan-2-yl)cyclopenta-1,4-dien-1-yl]-N,N-dimethylethanamine (PubChem CID 23295298) has the molecular formula C15H27N and a molecular weight of 221.39 g/mol. Its IUPAC name is 1-[4,5-di(propan-2-yl)cyclopenta-1,4-dien-1-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name1-[4,5-di(propan-2-yl)cyclopenta-1,4-dien-1-yl]-N,N-dimethylethanamine
PubChem CID23295298
Molecular FormulaC15H27N
Molecular Weight221.39 g/mol
Exact Mass221.21
IUPAC Name1-[4,5-di(propan-2-yl)cyclopenta-1,4-dien-1-yl]-N,N-dimethylethanamine
SMILESCC(C)C1=C(C(C)C)C(C(C)N(C)C)=CC1
InChIInChI=1S/C15H27N/c1-10(2)13-8-9-14(12(5)16(6)7)15(13)11(3)4/h9-12H,8H2,1-7H3
InChIKeyOQSYEKJTMSVBCF-UHFFFAOYSA-N
XLogP3.88
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
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 1-[4,5-di(propan-2-yl)cyclopenta-1,4-dien-1-yl]-N,N-dimethylethanamine?
The IUPAC name of 1-[4,5-di(propan-2-yl)cyclopenta-1,4-dien-1-yl]-N,N-dimethylethanamine (CID 23295298) is 1-[4,5-di(propan-2-yl)cyclopenta-1,4-dien-1-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 1-[4,5-di(propan-2-yl)cyclopenta-1,4-dien-1-yl]-N,N-dimethylethanamine?
The canonical SMILES for 1-[4,5-di(propan-2-yl)cyclopenta-1,4-dien-1-yl]-N,N-dimethylethanamine is CC(C)C1=C(C(C)C)C(C(C)N(C)C)=CC1.
What is the InChIKey of 1-[4,5-di(propan-2-yl)cyclopenta-1,4-dien-1-yl]-N,N-dimethylethanamine?
The InChIKey is OQSYEKJTMSVBCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N/c1-10(2)13-8-9-14(12(5)16(6)7)15(13)11(3)4/h9-12H,8H2,1-7H3.
What are the key properties of 1-[4,5-di(propan-2-yl)cyclopenta-1,4-dien-1-yl]-N,N-dimethylethanamine?
1-[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, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4,5-di(propan-2-yl)cyclopenta-1,4-dien-1-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 23295298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).