(2E)-5-cyclobutyl-N,7-dimethyl-2-(3-propylcyclobutyl)nona-2,5-dien-4-imine

C22H37N — CID 123809633

IUPAC(2E)-5-cyclobutyl-N,7-dimethyl-2-(3-propylcyclobutyl)nona-2,5-dien-4-imine
SMILESCCCC1CC(/C(C)=C/C(=N/C)C(=CC(C)CC)C2CCC2)C1
InChIInChI=1S/C22H37N/c1-6-9-18-14-20(15-18)17(4)13-22(23-5)21(12-16(3)7-2)19-10-8-11-19/h12-13,16,18-20H,6-11,14-15H2,1-5H3/b17-13+,21-12?,23-22-
InChIKeyOOCWLMZZLZPZLJ-DNXSTVLJSA-N
MW315.55 g/mol
LogP6.60
Rot. Bonds8

About (2E)-5-cyclobutyl-N,7-dimethyl-2-(3-propylcyclobutyl)nona-2,5-dien-4-imine

(2E)-5-cyclobutyl-N,7-dimethyl-2-(3-propylcyclobutyl)nona-2,5-dien-4-imine (PubChem CID 123809633) has the molecular formula C22H37N and a molecular weight of 315.55 g/mol. Its IUPAC name is (2E)-5-cyclobutyl-N,7-dimethyl-2-(3-propylcyclobutyl)nona-2,5-dien-4-imine.

Molecular Properties

Compound Name(2E)-5-cyclobutyl-N,7-dimethyl-2-(3-propylcyclobutyl)nona-2,5-dien-4-imine
PubChem CID123809633
Molecular FormulaC22H37N
Molecular Weight315.55 g/mol
Exact Mass315.29
IUPAC Name(2E)-5-cyclobutyl-N,7-dimethyl-2-(3-propylcyclobutyl)nona-2,5-dien-4-imine
SMILESCCCC1CC(/C(C)=C/C(=N/C)C(=CC(C)CC)C2CCC2)C1
InChIInChI=1S/C22H37N/c1-6-9-18-14-20(15-18)17(4)13-22(23-5)21(12-16(3)7-2)19-10-8-11-19/h12-13,16,18-20H,6-11,14-15H2,1-5H3/b17-13+,21-12?,23-22-
InChIKeyOOCWLMZZLZPZLJ-DNXSTVLJSA-N
XLogP6.60
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.55
LogP ≤ 56.60
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
(E)-3,5-dimethyl-N-propylundec-2-en-4-imine
CID 123347173
N,3,7-trimethylcyclohept-2-en-1-imine
CID 123422604
(Z)-3-ethyl-N,5-dimethyloct-2-en-4-imine
CID 123539646
(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
(Z)-3,7-diethyl-N,6-dimethyl-5-pentan-2-ylnon-5-en-4-imine
CID 123714871
1-(2-methylcyclobutyl)-N-[3-methyl-4-(3-methyl-3-propylcyclobutyl)but-3-enyl]ethanimine
CID 123769432
(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
(7E,12Z)-N,3,7-trimethyltetradeca-7,12-dien-2-imine
CID 130374239

Frequently Asked Questions

What is the IUPAC name of (2E)-5-cyclobutyl-N,7-dimethyl-2-(3-propylcyclobutyl)nona-2,5-dien-4-imine?
The IUPAC name of (2E)-5-cyclobutyl-N,7-dimethyl-2-(3-propylcyclobutyl)nona-2,5-dien-4-imine (CID 123809633) is (2E)-5-cyclobutyl-N,7-dimethyl-2-(3-propylcyclobutyl)nona-2,5-dien-4-imine.
What is the SMILES notation for (2E)-5-cyclobutyl-N,7-dimethyl-2-(3-propylcyclobutyl)nona-2,5-dien-4-imine?
The canonical SMILES for (2E)-5-cyclobutyl-N,7-dimethyl-2-(3-propylcyclobutyl)nona-2,5-dien-4-imine is CCCC1CC(/C(C)=C/C(=N/C)C(=CC(C)CC)C2CCC2)C1.
What is the InChIKey of (2E)-5-cyclobutyl-N,7-dimethyl-2-(3-propylcyclobutyl)nona-2,5-dien-4-imine?
The InChIKey is OOCWLMZZLZPZLJ-DNXSTVLJSA-N. The full InChI is InChI=1S/C22H37N/c1-6-9-18-14-20(15-18)17(4)13-22(23-5)21(12-16(3)7-2)19-10-8-11-19/h12-13,16,18-20H,6-11,14-15H2,1-5H3/b17-13+,21-12?,23-22-.
What are the key properties of (2E)-5-cyclobutyl-N,7-dimethyl-2-(3-propylcyclobutyl)nona-2,5-dien-4-imine?
(2E)-5-cyclobutyl-N,7-dimethyl-2-(3-propylcyclobutyl)nona-2,5-dien-4-imine has a molecular weight of 315.55 g/mol, XLogP of 6.60, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-5-cyclobutyl-N,7-dimethyl-2-(3-propylcyclobutyl)nona-2,5-dien-4-imine is sourced from PubChem (CID 123809633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).