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

C17H31N — CID 54056769

IUPAC2-[4,5-di(butan-2-yl)cyclopenta-1,4-dien-1-yl]-N,N-dimethylethanamine
SMILESCCC(C)C1=C(C(C)CC)C(CCN(C)C)=CC1
InChIInChI=1S/C17H31N/c1-7-13(3)16-10-9-15(11-12-18(5)6)17(16)14(4)8-2/h9,13-14H,7-8,10-12H2,1-6H3
InChIKeyLWUOMDLHRHLVIT-UHFFFAOYSA-N
MW249.44 g/mol
LogP4.66
Rot. Bonds7

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

2-[4,5-di(butan-2-yl)cyclopenta-1,4-dien-1-yl]-N,N-dimethylethanamine (PubChem CID 54056769) has the molecular formula C17H31N and a molecular weight of 249.44 g/mol. Its IUPAC name is 2-[4,5-di(butan-2-yl)cyclopenta-1,4-dien-1-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[4,5-di(butan-2-yl)cyclopenta-1,4-dien-1-yl]-N,N-dimethylethanamine
PubChem CID54056769
Molecular FormulaC17H31N
Molecular Weight249.44 g/mol
Exact Mass249.25
IUPAC Name2-[4,5-di(butan-2-yl)cyclopenta-1,4-dien-1-yl]-N,N-dimethylethanamine
SMILESCCC(C)C1=C(C(C)CC)C(CCN(C)C)=CC1
InChIInChI=1S/C17H31N/c1-7-13(3)16-10-9-15(11-12-18(5)6)17(16)14(4)8-2/h9,13-14H,7-8,10-12H2,1-6H3
InChIKeyLWUOMDLHRHLVIT-UHFFFAOYSA-N
XLogP4.66
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.44
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-[4,5-di(butan-2-yl)cyclopenta-1,4-dien-1-yl]-N,N-dimethylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-Diethyl-3,7-dimethyl-6-octen-1-amine
CID 14525584
Ethylamine, 2-(2-cyclopentenyl)-N,N,1-trimethyl-
CID 49664
trimethyl-[[(1R)-3-methylcyclopent-3-en-1-yl]methyl]azanium iodide
CID 118719169
N,N-dimethyl-2-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)ethanamine
CID 15657126
3-cyclopenta-1,3-dien-1-yl-N,N-dimethylpropan-1-amine
CID 12982239
4-Cyclopenta-1,3-dien-1-yl-1-methylpiperidine
CID 12982244
3,7-dimethyl-N,N-dipropyloct-6-en-1-amine
CID 13945554
(6E,8E)-6-ethenyl-N,5-diethyl-9-fluoro-N-methyldeca-6,8-dien-1-amine
CID 134365586
3-(4-fluorocyclohexa-1,3-dien-1-yl)-N,N-dimethylbutan-1-amine
CID 134365608
3-(4-fluorocyclohexa-1,3-dien-1-yl)-N,N-dimethylpentan-1-amine
CID 134365793
(5Z,6Z)-5-ethylidene-8-fluoro-N,N,4-trimethylnona-6,8-dien-1-amine
CID 134365833
(E,5E)-3-ethyl-6-fluoro-5-(1-fluoroethylidene)-N,N-dimethylnon-6-en-1-amine
CID 144302317

Frequently Asked Questions

What is the IUPAC name of 2-[4,5-di(butan-2-yl)cyclopenta-1,4-dien-1-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[4,5-di(butan-2-yl)cyclopenta-1,4-dien-1-yl]-N,N-dimethylethanamine (CID 54056769) is 2-[4,5-di(butan-2-yl)cyclopenta-1,4-dien-1-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[4,5-di(butan-2-yl)cyclopenta-1,4-dien-1-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[4,5-di(butan-2-yl)cyclopenta-1,4-dien-1-yl]-N,N-dimethylethanamine is CCC(C)C1=C(C(C)CC)C(CCN(C)C)=CC1.
What is the InChIKey of 2-[4,5-di(butan-2-yl)cyclopenta-1,4-dien-1-yl]-N,N-dimethylethanamine?
The InChIKey is LWUOMDLHRHLVIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N/c1-7-13(3)16-10-9-15(11-12-18(5)6)17(16)14(4)8-2/h9,13-14H,7-8,10-12H2,1-6H3.
What are the key properties of 2-[4,5-di(butan-2-yl)cyclopenta-1,4-dien-1-yl]-N,N-dimethylethanamine?
2-[4,5-di(butan-2-yl)cyclopenta-1,4-dien-1-yl]-N,N-dimethylethanamine has a molecular weight of 249.44 g/mol, XLogP of 4.66, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4,5-di(butan-2-yl)cyclopenta-1,4-dien-1-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 54056769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).