1-(4,5-dibutylcyclopenta-1,4-dien-1-yl)-N,N-dimethylethanamine

C17H31N — CID 23295295

IUPAC1-(4,5-dibutylcyclopenta-1,4-dien-1-yl)-N,N-dimethylethanamine
SMILESCCCCC1=C(CCCC)C(C(C)N(C)C)=CC1
InChIInChI=1S/C17H31N/c1-6-8-10-15-12-13-16(14(3)18(4)5)17(15)11-9-7-2/h13-14H,6-12H2,1-5H3
InChIKeyZJIOOQOXQCGAJU-UHFFFAOYSA-N
MW249.44 g/mol
LogP4.94
Rot. Bonds8

About 1-(4,5-dibutylcyclopenta-1,4-dien-1-yl)-N,N-dimethylethanamine

1-(4,5-dibutylcyclopenta-1,4-dien-1-yl)-N,N-dimethylethanamine (PubChem CID 23295295) has the molecular formula C17H31N and a molecular weight of 249.44 g/mol. Its IUPAC name is 1-(4,5-dibutylcyclopenta-1,4-dien-1-yl)-N,N-dimethylethanamine.

Molecular Properties

Compound Name1-(4,5-dibutylcyclopenta-1,4-dien-1-yl)-N,N-dimethylethanamine
PubChem CID23295295
Molecular FormulaC17H31N
Molecular Weight249.44 g/mol
Exact Mass249.25
IUPAC Name1-(4,5-dibutylcyclopenta-1,4-dien-1-yl)-N,N-dimethylethanamine
SMILESCCCCC1=C(CCCC)C(C(C)N(C)C)=CC1
InChIInChI=1S/C17H31N/c1-6-8-10-15-12-13-16(14(3)18(4)5)17(15)11-9-7-2/h13-14H,6-12H2,1-5H3
InChIKeyZJIOOQOXQCGAJU-UHFFFAOYSA-N
XLogP4.94
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.44
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dibutylcyclopenta-1,4-dien-1-yl)-N,N-dimethylethanamine?
The IUPAC name of 1-(4,5-dibutylcyclopenta-1,4-dien-1-yl)-N,N-dimethylethanamine (CID 23295295) is 1-(4,5-dibutylcyclopenta-1,4-dien-1-yl)-N,N-dimethylethanamine.
What is the SMILES notation for 1-(4,5-dibutylcyclopenta-1,4-dien-1-yl)-N,N-dimethylethanamine?
The canonical SMILES for 1-(4,5-dibutylcyclopenta-1,4-dien-1-yl)-N,N-dimethylethanamine is CCCCC1=C(CCCC)C(C(C)N(C)C)=CC1.
What is the InChIKey of 1-(4,5-dibutylcyclopenta-1,4-dien-1-yl)-N,N-dimethylethanamine?
The InChIKey is ZJIOOQOXQCGAJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N/c1-6-8-10-15-12-13-16(14(3)18(4)5)17(15)11-9-7-2/h13-14H,6-12H2,1-5H3.
What are the key properties of 1-(4,5-dibutylcyclopenta-1,4-dien-1-yl)-N,N-dimethylethanamine?
1-(4,5-dibutylcyclopenta-1,4-dien-1-yl)-N,N-dimethylethanamine has a molecular weight of 249.44 g/mol, XLogP of 4.94, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dibutylcyclopenta-1,4-dien-1-yl)-N,N-dimethylethanamine is sourced from PubChem (CID 23295295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).