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

C21H37N — CID 23295306

IUPAC2-[2-cyclohexyl-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)=C(C2CCCCC2)C1
InChIInChI=1S/C21H37N/c1-15(2)19-14-20(17-10-8-7-9-11-17)18(12-13-22(5)6)21(19)16(3)4/h15-17H,7-14H2,1-6H3
InChIKeyDYXUNDRGJSMARS-UHFFFAOYSA-N
MW303.53 g/mol
LogP5.83
Rot. Bonds6

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

2-[2-cyclohexyl-4,5-di(propan-2-yl)cyclopenta-1,4-dien-1-yl]-N,N-dimethylethanamine (PubChem CID 23295306) has the molecular formula C21H37N and a molecular weight of 303.53 g/mol. Its IUPAC name is 2-[2-cyclohexyl-4,5-di(propan-2-yl)cyclopenta-1,4-dien-1-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[2-cyclohexyl-4,5-di(propan-2-yl)cyclopenta-1,4-dien-1-yl]-N,N-dimethylethanamine
PubChem CID23295306
Molecular FormulaC21H37N
Molecular Weight303.53 g/mol
Exact Mass303.29
IUPAC Name2-[2-cyclohexyl-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)=C(C2CCCCC2)C1
InChIInChI=1S/C21H37N/c1-15(2)19-14-20(17-10-8-7-9-11-17)18(12-13-22(5)6)21(19)16(3)4/h15-17H,7-14H2,1-6H3
InChIKeyDYXUNDRGJSMARS-UHFFFAOYSA-N
XLogP5.83
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.53
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[2-cyclohexyl-4,5-di(propan-2-yl)cyclopenta-1,4-dien-1-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[2-cyclohexyl-4,5-di(propan-2-yl)cyclopenta-1,4-dien-1-yl]-N,N-dimethylethanamine (CID 23295306) is 2-[2-cyclohexyl-4,5-di(propan-2-yl)cyclopenta-1,4-dien-1-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[2-cyclohexyl-4,5-di(propan-2-yl)cyclopenta-1,4-dien-1-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[2-cyclohexyl-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)=C(C2CCCCC2)C1.
What is the InChIKey of 2-[2-cyclohexyl-4,5-di(propan-2-yl)cyclopenta-1,4-dien-1-yl]-N,N-dimethylethanamine?
The InChIKey is DYXUNDRGJSMARS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H37N/c1-15(2)19-14-20(17-10-8-7-9-11-17)18(12-13-22(5)6)21(19)16(3)4/h15-17H,7-14H2,1-6H3.
What are the key properties of 2-[2-cyclohexyl-4,5-di(propan-2-yl)cyclopenta-1,4-dien-1-yl]-N,N-dimethylethanamine?
2-[2-cyclohexyl-4,5-di(propan-2-yl)cyclopenta-1,4-dien-1-yl]-N,N-dimethylethanamine has a molecular weight of 303.53 g/mol, XLogP of 5.83, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-cyclohexyl-4,5-di(propan-2-yl)cyclopenta-1,4-dien-1-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 23295306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).