2-cyclopropyl-4-[5-(3-ethenyl-2-methylcyclobut-2-en-1-yl)-3-methyl-2-methylidenedecyl]-1-methylazetidine

C26H43N — CID 123726874

IUPAC2-cyclopropyl-4-[5-(3-ethenyl-2-methylcyclobut-2-en-1-yl)-3-methyl-2-methylidenedecyl]-1-methylazetidine
SMILESC=CC1=C(C)C(C(CCCCC)CC(C)C(=C)CC2CC(C3CC3)N2C)C1
InChIInChI=1S/C26H43N/c1-7-9-10-11-23(25-16-21(8-2)20(25)5)14-18(3)19(4)15-24-17-26(27(24)6)22-12-13-22/h8,18,22-26H,2,4,7,9-17H2,1,3,5-6H3
InChIKeyFIQWEEPSTYQNOX-UHFFFAOYSA-N
MW369.64 g/mol
LogP7.16
Rot. Bonds12

About 2-cyclopropyl-4-[5-(3-ethenyl-2-methylcyclobut-2-en-1-yl)-3-methyl-2-methylidenedecyl]-1-methylazetidine

2-cyclopropyl-4-[5-(3-ethenyl-2-methylcyclobut-2-en-1-yl)-3-methyl-2-methylidenedecyl]-1-methylazetidine (PubChem CID 123726874) has the molecular formula C26H43N and a molecular weight of 369.64 g/mol. Its IUPAC name is 2-cyclopropyl-4-[5-(3-ethenyl-2-methylcyclobut-2-en-1-yl)-3-methyl-2-methylidenedecyl]-1-methylazetidine.

Molecular Properties

Compound Name2-cyclopropyl-4-[5-(3-ethenyl-2-methylcyclobut-2-en-1-yl)-3-methyl-2-methylidenedecyl]-1-methylazetidine
PubChem CID123726874
Molecular FormulaC26H43N
Molecular Weight369.64 g/mol
Exact Mass369.34
IUPAC Name2-cyclopropyl-4-[5-(3-ethenyl-2-methylcyclobut-2-en-1-yl)-3-methyl-2-methylidenedecyl]-1-methylazetidine
SMILESC=CC1=C(C)C(C(CCCCC)CC(C)C(=C)CC2CC(C3CC3)N2C)C1
InChIInChI=1S/C26H43N/c1-7-9-10-11-23(25-16-21(8-2)20(25)5)14-18(3)19(4)15-24-17-26(27(24)6)22-12-13-22/h8,18,22-26H,2,4,7,9-17H2,1,3,5-6H3
InChIKeyFIQWEEPSTYQNOX-UHFFFAOYSA-N
XLogP7.16
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.64
LogP ≤ 57.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-[5-(3-ethenyl-2-methylcyclobut-2-en-1-yl)-3-methyl-2-methylidenedecyl]-1-methylazetidine?
The IUPAC name of 2-cyclopropyl-4-[5-(3-ethenyl-2-methylcyclobut-2-en-1-yl)-3-methyl-2-methylidenedecyl]-1-methylazetidine (CID 123726874) is 2-cyclopropyl-4-[5-(3-ethenyl-2-methylcyclobut-2-en-1-yl)-3-methyl-2-methylidenedecyl]-1-methylazetidine.
What is the SMILES notation for 2-cyclopropyl-4-[5-(3-ethenyl-2-methylcyclobut-2-en-1-yl)-3-methyl-2-methylidenedecyl]-1-methylazetidine?
The canonical SMILES for 2-cyclopropyl-4-[5-(3-ethenyl-2-methylcyclobut-2-en-1-yl)-3-methyl-2-methylidenedecyl]-1-methylazetidine is C=CC1=C(C)C(C(CCCCC)CC(C)C(=C)CC2CC(C3CC3)N2C)C1.
What is the InChIKey of 2-cyclopropyl-4-[5-(3-ethenyl-2-methylcyclobut-2-en-1-yl)-3-methyl-2-methylidenedecyl]-1-methylazetidine?
The InChIKey is FIQWEEPSTYQNOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H43N/c1-7-9-10-11-23(25-16-21(8-2)20(25)5)14-18(3)19(4)15-24-17-26(27(24)6)22-12-13-22/h8,18,22-26H,2,4,7,9-17H2,1,3,5-6H3.
What are the key properties of 2-cyclopropyl-4-[5-(3-ethenyl-2-methylcyclobut-2-en-1-yl)-3-methyl-2-methylidenedecyl]-1-methylazetidine?
2-cyclopropyl-4-[5-(3-ethenyl-2-methylcyclobut-2-en-1-yl)-3-methyl-2-methylidenedecyl]-1-methylazetidine has a molecular weight of 369.64 g/mol, XLogP of 7.16, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-[5-(3-ethenyl-2-methylcyclobut-2-en-1-yl)-3-methyl-2-methylidenedecyl]-1-methylazetidine is sourced from PubChem (CID 123726874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).