1-[5-butyl-2-(2,3,4-trimethylpentan-2-yl)cyclopent-2-en-1-yl]-N-ethyl-3-methylbutan-1-amine

C24H47N — CID 91523470

IUPAC1-[5-butyl-2-(2,3,4-trimethylpentan-2-yl)cyclopent-2-en-1-yl]-N-ethyl-3-methylbutan-1-amine
SMILESCCCCC1CC=C(C(C)(C)C(C)C(C)C)C1C(CC(C)C)NCC
InChIInChI=1S/C24H47N/c1-10-12-13-20-14-15-21(24(8,9)19(7)18(5)6)23(20)22(25-11-2)16-17(3)4/h15,17-20,22-23,25H,10-14,16H2,1-9H3
InChIKeyLMDVBRIHTVSCAL-UHFFFAOYSA-N
MW349.65 g/mol
LogP7.08
Rot. Bonds11

About 1-[5-butyl-2-(2,3,4-trimethylpentan-2-yl)cyclopent-2-en-1-yl]-N-ethyl-3-methylbutan-1-amine

1-[5-butyl-2-(2,3,4-trimethylpentan-2-yl)cyclopent-2-en-1-yl]-N-ethyl-3-methylbutan-1-amine (PubChem CID 91523470) has the molecular formula C24H47N and a molecular weight of 349.65 g/mol. Its IUPAC name is 1-[5-butyl-2-(2,3,4-trimethylpentan-2-yl)cyclopent-2-en-1-yl]-N-ethyl-3-methylbutan-1-amine.

Molecular Properties

Compound Name1-[5-butyl-2-(2,3,4-trimethylpentan-2-yl)cyclopent-2-en-1-yl]-N-ethyl-3-methylbutan-1-amine
PubChem CID91523470
Molecular FormulaC24H47N
Molecular Weight349.65 g/mol
Exact Mass349.37
IUPAC Name1-[5-butyl-2-(2,3,4-trimethylpentan-2-yl)cyclopent-2-en-1-yl]-N-ethyl-3-methylbutan-1-amine
SMILESCCCCC1CC=C(C(C)(C)C(C)C(C)C)C1C(CC(C)C)NCC
InChIInChI=1S/C24H47N/c1-10-12-13-20-14-15-21(24(8,9)19(7)18(5)6)23(20)22(25-11-2)16-17(3)4/h15,17-20,22-23,25H,10-14,16H2,1-9H3
InChIKeyLMDVBRIHTVSCAL-UHFFFAOYSA-N
XLogP7.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.65
LogP ≤ 57.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethyl-N'-{[6-methyl-4-(4-methylpent-3-en-1-yl)cyclohex-3-en-1-yl]methyl}propane-1,3-diamine
CID 2855628
3-[(1R)-4-methylcyclohex-3-en-1-yl]-N-propylbutan-1-amine
CID 24850676
3-[(1R)-4-methylcyclohex-3-en-1-yl]-N-propan-2-ylbutan-1-amine
CID 46886826
N-[2-(cyclohexen-1-yl)ethyl]-1-cyclohexylpentan-2-amine
CID 172469915
N-ethyl-5-[(2Z,4Z)-hepta-2,4,6-trien-3-yl]-3-methyl-3-propylcyclohexan-1-amine
CID 129019219
7-fluoro-N,8,11-trimethyl-4-(3-methylcyclopentyl)dodec-10-en-1-amine
CID 91313559
N-[(2-ethenyl-4-ethyl-5-fluoro-4-pentylcyclohept-2-en-1-yl)methyl]-2,3,8-trimethyl-7-propylcyclooct-2-en-1-amine
CID 123673126
5-butyl-N-[(7-butyl-7-ethenyl-5-ethyl-4-fluoro-5-methylcyclohept-2-en-1-yl)methyl]-4-ethylcyclohepta-2,5-dien-1-amine
CID 123780514
2-[(E)-5-fluorohept-5-en-2-yl]-6-(1-methylcyclopentyl)piperidine
CID 129194100
N-butyl-4-[(6E,8E)-9-fluoro-5,6-dimethylundeca-6,8-dien-2-yl]cycloheptan-1-amine
CID 130256882
N-[2-[2-(2-ethylpentyl)-5-fluorocyclohepta-2,4-dien-1-yl]ethyl]propan-2-amine
CID 130371419
(E)-5-[(E)-2-fluoroprop-1-enyl]-N-[(Z)-hex-4-en-2-yl]-4-methylundec-9-en-1-amine
CID 135278063

Frequently Asked Questions

What is the IUPAC name of 1-[5-butyl-2-(2,3,4-trimethylpentan-2-yl)cyclopent-2-en-1-yl]-N-ethyl-3-methylbutan-1-amine?
The IUPAC name of 1-[5-butyl-2-(2,3,4-trimethylpentan-2-yl)cyclopent-2-en-1-yl]-N-ethyl-3-methylbutan-1-amine (CID 91523470) is 1-[5-butyl-2-(2,3,4-trimethylpentan-2-yl)cyclopent-2-en-1-yl]-N-ethyl-3-methylbutan-1-amine.
What is the SMILES notation for 1-[5-butyl-2-(2,3,4-trimethylpentan-2-yl)cyclopent-2-en-1-yl]-N-ethyl-3-methylbutan-1-amine?
The canonical SMILES for 1-[5-butyl-2-(2,3,4-trimethylpentan-2-yl)cyclopent-2-en-1-yl]-N-ethyl-3-methylbutan-1-amine is CCCCC1CC=C(C(C)(C)C(C)C(C)C)C1C(CC(C)C)NCC.
What is the InChIKey of 1-[5-butyl-2-(2,3,4-trimethylpentan-2-yl)cyclopent-2-en-1-yl]-N-ethyl-3-methylbutan-1-amine?
The InChIKey is LMDVBRIHTVSCAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H47N/c1-10-12-13-20-14-15-21(24(8,9)19(7)18(5)6)23(20)22(25-11-2)16-17(3)4/h15,17-20,22-23,25H,10-14,16H2,1-9H3.
What are the key properties of 1-[5-butyl-2-(2,3,4-trimethylpentan-2-yl)cyclopent-2-en-1-yl]-N-ethyl-3-methylbutan-1-amine?
1-[5-butyl-2-(2,3,4-trimethylpentan-2-yl)cyclopent-2-en-1-yl]-N-ethyl-3-methylbutan-1-amine has a molecular weight of 349.65 g/mol, XLogP of 7.08, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-butyl-2-(2,3,4-trimethylpentan-2-yl)cyclopent-2-en-1-yl]-N-ethyl-3-methylbutan-1-amine is sourced from PubChem (CID 91523470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).