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

C19H35N — CID 23295285

IUPAC1-(4,5-dipentylcyclopenta-1,4-dien-1-yl)-N,N-dimethylethanamine
SMILESCCCCCC1=C(CCCCC)C(C(C)N(C)C)=CC1
InChIInChI=1S/C19H35N/c1-6-8-10-12-17-14-15-18(16(3)20(4)5)19(17)13-11-9-7-2/h15-16H,6-14H2,1-5H3
InChIKeyZNZTUCBMLIUAPS-UHFFFAOYSA-N
MW277.50 g/mol
LogP5.72
Rot. Bonds10

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

1-(4,5-dipentylcyclopenta-1,4-dien-1-yl)-N,N-dimethylethanamine (PubChem CID 23295285) has the molecular formula C19H35N and a molecular weight of 277.50 g/mol. Its IUPAC name is 1-(4,5-dipentylcyclopenta-1,4-dien-1-yl)-N,N-dimethylethanamine.

Molecular Properties

Compound Name1-(4,5-dipentylcyclopenta-1,4-dien-1-yl)-N,N-dimethylethanamine
PubChem CID23295285
Molecular FormulaC19H35N
Molecular Weight277.50 g/mol
Exact Mass277.28
IUPAC Name1-(4,5-dipentylcyclopenta-1,4-dien-1-yl)-N,N-dimethylethanamine
SMILESCCCCCC1=C(CCCCC)C(C(C)N(C)C)=CC1
InChIInChI=1S/C19H35N/c1-6-8-10-12-17-14-15-18(16(3)20(4)5)19(17)13-11-9-7-2/h15-16H,6-14H2,1-5H3
InChIKeyZNZTUCBMLIUAPS-UHFFFAOYSA-N
XLogP5.72
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.50
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dipentylcyclopenta-1,4-dien-1-yl)-N,N-dimethylethanamine?
The IUPAC name of 1-(4,5-dipentylcyclopenta-1,4-dien-1-yl)-N,N-dimethylethanamine (CID 23295285) is 1-(4,5-dipentylcyclopenta-1,4-dien-1-yl)-N,N-dimethylethanamine.
What is the SMILES notation for 1-(4,5-dipentylcyclopenta-1,4-dien-1-yl)-N,N-dimethylethanamine?
The canonical SMILES for 1-(4,5-dipentylcyclopenta-1,4-dien-1-yl)-N,N-dimethylethanamine is CCCCCC1=C(CCCCC)C(C(C)N(C)C)=CC1.
What is the InChIKey of 1-(4,5-dipentylcyclopenta-1,4-dien-1-yl)-N,N-dimethylethanamine?
The InChIKey is ZNZTUCBMLIUAPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N/c1-6-8-10-12-17-14-15-18(16(3)20(4)5)19(17)13-11-9-7-2/h15-16H,6-14H2,1-5H3.
What are the key properties of 1-(4,5-dipentylcyclopenta-1,4-dien-1-yl)-N,N-dimethylethanamine?
1-(4,5-dipentylcyclopenta-1,4-dien-1-yl)-N,N-dimethylethanamine has a molecular weight of 277.50 g/mol, XLogP of 5.72, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dipentylcyclopenta-1,4-dien-1-yl)-N,N-dimethylethanamine is sourced from PubChem (CID 23295285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).