5-ethyl-N,2,6,6-tetramethyl-N-[2-[3-(2-methylbutyl)cyclobutyl]ethyl]hept-2-en-1-amine

C24H47N — CID 123288171

IUPAC5-ethyl-N,2,6,6-tetramethyl-N-[2-[3-(2-methylbutyl)cyclobutyl]ethyl]hept-2-en-1-amine
SMILESCCC(C)CC1CC(CCN(C)CC(C)=CCC(CC)C(C)(C)C)C1
InChIInChI=1S/C24H47N/c1-9-19(3)15-22-16-21(17-22)13-14-25(8)18-20(4)11-12-23(10-2)24(5,6)7/h11,19,21-23H,9-10,12-18H2,1-8H3
InChIKeyDWZRWQOBRMTBSJ-UHFFFAOYSA-N
MW349.65 g/mol
LogP7.18
Rot. Bonds11

About 5-ethyl-N,2,6,6-tetramethyl-N-[2-[3-(2-methylbutyl)cyclobutyl]ethyl]hept-2-en-1-amine

5-ethyl-N,2,6,6-tetramethyl-N-[2-[3-(2-methylbutyl)cyclobutyl]ethyl]hept-2-en-1-amine (PubChem CID 123288171) has the molecular formula C24H47N and a molecular weight of 349.65 g/mol. Its IUPAC name is 5-ethyl-N,2,6,6-tetramethyl-N-[2-[3-(2-methylbutyl)cyclobutyl]ethyl]hept-2-en-1-amine.

Molecular Properties

Compound Name5-ethyl-N,2,6,6-tetramethyl-N-[2-[3-(2-methylbutyl)cyclobutyl]ethyl]hept-2-en-1-amine
PubChem CID123288171
Molecular FormulaC24H47N
Molecular Weight349.65 g/mol
Exact Mass349.37
IUPAC Name5-ethyl-N,2,6,6-tetramethyl-N-[2-[3-(2-methylbutyl)cyclobutyl]ethyl]hept-2-en-1-amine
SMILESCCC(C)CC1CC(CCN(C)CC(C)=CCC(CC)C(C)(C)C)C1
InChIInChI=1S/C24H47N/c1-9-19(3)15-22-16-21(17-22)13-14-25(8)18-20(4)11-12-23(10-2)24(5,6)7/h11,19,21-23H,9-10,12-18H2,1-8H3
InChIKeyDWZRWQOBRMTBSJ-UHFFFAOYSA-N
XLogP7.18
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.65
LogP ≤ 57.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N,2,6,6-tetramethyl-N-[2-[3-(2-methylbutyl)cyclobutyl]ethyl]hept-2-en-1-amine?
The IUPAC name of 5-ethyl-N,2,6,6-tetramethyl-N-[2-[3-(2-methylbutyl)cyclobutyl]ethyl]hept-2-en-1-amine (CID 123288171) is 5-ethyl-N,2,6,6-tetramethyl-N-[2-[3-(2-methylbutyl)cyclobutyl]ethyl]hept-2-en-1-amine.
What is the SMILES notation for 5-ethyl-N,2,6,6-tetramethyl-N-[2-[3-(2-methylbutyl)cyclobutyl]ethyl]hept-2-en-1-amine?
The canonical SMILES for 5-ethyl-N,2,6,6-tetramethyl-N-[2-[3-(2-methylbutyl)cyclobutyl]ethyl]hept-2-en-1-amine is CCC(C)CC1CC(CCN(C)CC(C)=CCC(CC)C(C)(C)C)C1.
What is the InChIKey of 5-ethyl-N,2,6,6-tetramethyl-N-[2-[3-(2-methylbutyl)cyclobutyl]ethyl]hept-2-en-1-amine?
The InChIKey is DWZRWQOBRMTBSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H47N/c1-9-19(3)15-22-16-21(17-22)13-14-25(8)18-20(4)11-12-23(10-2)24(5,6)7/h11,19,21-23H,9-10,12-18H2,1-8H3.
What are the key properties of 5-ethyl-N,2,6,6-tetramethyl-N-[2-[3-(2-methylbutyl)cyclobutyl]ethyl]hept-2-en-1-amine?
5-ethyl-N,2,6,6-tetramethyl-N-[2-[3-(2-methylbutyl)cyclobutyl]ethyl]hept-2-en-1-amine has a molecular weight of 349.65 g/mol, XLogP of 7.18, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N,2,6,6-tetramethyl-N-[2-[3-(2-methylbutyl)cyclobutyl]ethyl]hept-2-en-1-amine is sourced from PubChem (CID 123288171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).