N-ethyl-3,5-dimethyl-7-[2-(2-methylcyclobutyl)cyclobutyl]dec-5-en-4-imine

C23H41N — CID 174326854

IUPACN-ethyl-3,5-dimethyl-7-[2-(2-methylcyclobutyl)cyclobutyl]dec-5-en-4-imine
SMILESCCCC(C=C(C)/C(=N/CC)C(C)CC)C1CCC1C1CCC1C
InChIInChI=1S/C23H41N/c1-7-10-19(15-18(6)23(24-9-3)16(4)8-2)21-13-14-22(21)20-12-11-17(20)5/h15-17,19-22H,7-14H2,1-6H3/b18-15?,24-23+
InChIKeyCFKDVBDRTGNJAP-XDLLLLLISA-N
MW331.59 g/mol
LogP6.93
Rot. Bonds9

About N-ethyl-3,5-dimethyl-7-[2-(2-methylcyclobutyl)cyclobutyl]dec-5-en-4-imine

N-ethyl-3,5-dimethyl-7-[2-(2-methylcyclobutyl)cyclobutyl]dec-5-en-4-imine (PubChem CID 174326854) has the molecular formula C23H41N and a molecular weight of 331.59 g/mol. Its IUPAC name is N-ethyl-3,5-dimethyl-7-[2-(2-methylcyclobutyl)cyclobutyl]dec-5-en-4-imine.

Molecular Properties

Compound NameN-ethyl-3,5-dimethyl-7-[2-(2-methylcyclobutyl)cyclobutyl]dec-5-en-4-imine
PubChem CID174326854
Molecular FormulaC23H41N
Molecular Weight331.59 g/mol
Exact Mass331.32
IUPAC NameN-ethyl-3,5-dimethyl-7-[2-(2-methylcyclobutyl)cyclobutyl]dec-5-en-4-imine
SMILESCCCC(C=C(C)/C(=N/CC)C(C)CC)C1CCC1C1CCC1C
InChIInChI=1S/C23H41N/c1-7-10-19(15-18(6)23(24-9-3)16(4)8-2)21-13-14-22(21)20-12-11-17(20)5/h15-17,19-22H,7-14H2,1-6H3/b18-15?,24-23+
InChIKeyCFKDVBDRTGNJAP-XDLLLLLISA-N
XLogP6.93
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.59
LogP ≤ 56.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-methyl-3,4-di(propan-2-yl)cyclohex-2-en-1-imine
CID 20631046
3,4-dimethyl-N-(3,6,7-trimethyloct-5-en-4-yl)dodecan-2-imine
CID 123143028
(E)-3,5-dimethyl-N-propylundec-2-en-4-imine
CID 123347173
(Z)-3,7-diethyl-N,2,6-trimethyl-5-pentan-2-ylnon-5-en-4-imine
CID 123350713
(Z)-N-(1-cyclobutylpropan-2-yl)-5-prop-2-enyldec-4-en-3-imine
CID 123577888
N-ethyl-2,9,11-trimethyldodeca-2,11-dien-4-imine
CID 123713869
1-(2-methylcyclobutyl)-N-[3-methyl-4-(3-methyl-3-propylcyclobutyl)but-3-enyl]ethanimine
CID 123769432
(2E)-5-cyclobutyl-N,7-dimethyl-2-(3-propylcyclobutyl)nona-2,5-dien-4-imine
CID 123809633
(E)-N,3,6,11,11,13-hexamethyltetradec-2-en-4-imine
CID 123850959
3-Methyl-6-[1-(4-methyl-2-bicyclo[1.1.1]pentanyl)ethyl]-2,3-dihydropyridine
CID 129016496
(1Z)-1-[3-[(1-ethylcyclobutyl)methyl]-5-methylcyclohex-3-en-1-ylidene]-N-methylhexan-2-imine
CID 129066551
(3Z,6E)-4-ethyl-8-[2-(2-methylcyclobutyl)ethyl]-2,5-dihydroazocine
CID 134549524

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3,5-dimethyl-7-[2-(2-methylcyclobutyl)cyclobutyl]dec-5-en-4-imine?
The IUPAC name of N-ethyl-3,5-dimethyl-7-[2-(2-methylcyclobutyl)cyclobutyl]dec-5-en-4-imine (CID 174326854) is N-ethyl-3,5-dimethyl-7-[2-(2-methylcyclobutyl)cyclobutyl]dec-5-en-4-imine.
What is the SMILES notation for N-ethyl-3,5-dimethyl-7-[2-(2-methylcyclobutyl)cyclobutyl]dec-5-en-4-imine?
The canonical SMILES for N-ethyl-3,5-dimethyl-7-[2-(2-methylcyclobutyl)cyclobutyl]dec-5-en-4-imine is CCCC(C=C(C)/C(=N/CC)C(C)CC)C1CCC1C1CCC1C.
What is the InChIKey of N-ethyl-3,5-dimethyl-7-[2-(2-methylcyclobutyl)cyclobutyl]dec-5-en-4-imine?
The InChIKey is CFKDVBDRTGNJAP-XDLLLLLISA-N. The full InChI is InChI=1S/C23H41N/c1-7-10-19(15-18(6)23(24-9-3)16(4)8-2)21-13-14-22(21)20-12-11-17(20)5/h15-17,19-22H,7-14H2,1-6H3/b18-15?,24-23+.
What are the key properties of N-ethyl-3,5-dimethyl-7-[2-(2-methylcyclobutyl)cyclobutyl]dec-5-en-4-imine?
N-ethyl-3,5-dimethyl-7-[2-(2-methylcyclobutyl)cyclobutyl]dec-5-en-4-imine has a molecular weight of 331.59 g/mol, XLogP of 6.93, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3,5-dimethyl-7-[2-(2-methylcyclobutyl)cyclobutyl]dec-5-en-4-imine is sourced from PubChem (CID 174326854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).