7-(4-ethylidenecyclohexyl)-5-N-pentylideneheptane-3,5-diimine

C20H36N2 — CID 178080486

IUPAC7-(4-ethylidenecyclohexyl)-5-N-pentylideneheptane-3,5-diimine
SMILES[H]/N=C(\CC)CC(CCC1CCC(=CC)CC1)/N=C/CCCC
InChIInChI=1S/C20H36N2/c1-4-7-8-15-22-20(16-19(21)6-3)14-13-18-11-9-17(5-2)10-12-18/h5,15,18,20-21H,4,6-14,16H2,1-3H3/b17-5-,21-19+,22-15+
InChIKeyGJKSAZXXWONFRD-YWIRKGDXSA-N
MW304.52 g/mol
LogP6.35
Rot. Bonds10

About 7-(4-ethylidenecyclohexyl)-5-N-pentylideneheptane-3,5-diimine

7-(4-ethylidenecyclohexyl)-5-N-pentylideneheptane-3,5-diimine (PubChem CID 178080486) has the molecular formula C20H36N2 and a molecular weight of 304.52 g/mol. Its IUPAC name is 7-(4-ethylidenecyclohexyl)-5-N-pentylideneheptane-3,5-diimine.

Molecular Properties

Compound Name7-(4-ethylidenecyclohexyl)-5-N-pentylideneheptane-3,5-diimine
PubChem CID178080486
Molecular FormulaC20H36N2
Molecular Weight304.52 g/mol
Exact Mass304.29
IUPAC Name7-(4-ethylidenecyclohexyl)-5-N-pentylideneheptane-3,5-diimine
SMILES[H]/N=C(\CC)CC(CCC1CCC(=CC)CC1)/N=C/CCCC
InChIInChI=1S/C20H36N2/c1-4-7-8-15-22-20(16-19(21)6-3)14-13-18-11-9-17(5-2)10-12-18/h5,15,18,20-21H,4,6-14,16H2,1-3H3/b17-5-,21-19+,22-15+
InChIKeyGJKSAZXXWONFRD-YWIRKGDXSA-N
XLogP6.35
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.52
LogP ≤ 56.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3S)-N-cyclohexyl-3,7-dimethyloct-6-en-1-imine
CID 13509326
N-cyclohexyl-10-methyl-6-methylidene-3-(trifluoromethyl)undec-9-en-2-imine
CID 162565601
2-Cyclohexyl-11-pentyl-1-azacyclododeca-4,8,12-triene
CID 56991544
2-cyclopropyl-N-[(2S)-4,8-dimethylnon-7-en-2-yl]-3-methylheptan-1-imine
CID 70961241
3,4,4a,5,8,9a-Hexahydrocyclohepta[b]pyridin-9-imine
CID 90935757
N-[4-(4-ethenylcyclohexyl)cyclohex-3-en-1-yl]ethanimine
CID 90947762
5-but-3-en-2-yl-8-hepta-2,6-dienylimino-10-imino-N,N,6-trimethyldeca-3,4-dien-2-amine
CID 91069167
2-[5-methyl-1-(4-methylcyclohexa-1,3-dien-1-yl)hex-5-enyl]-2H-azirine
CID 91307077
3-(Cycloundecen-1-yl)-2-iminocycloundecan-1-amine
CID 91393172
Butylidene-[5-(3,4-dimethylhept-1-en-2-yl)-4-ethyl-2-methylcyclohex-3-en-1-yl]-methylazanium
CID 123398825
(4aZ)-10-methyl-2,3,4,8,9,10-hexahydropyrido[3,2-d]azocine
CID 123653923
10-Ethyl-2,11-dimethyl-8-propyl-1-azacyclotrideca-6,13-diene
CID 123727677

Frequently Asked Questions

What is the IUPAC name of 7-(4-ethylidenecyclohexyl)-5-N-pentylideneheptane-3,5-diimine?
The IUPAC name of 7-(4-ethylidenecyclohexyl)-5-N-pentylideneheptane-3,5-diimine (CID 178080486) is 7-(4-ethylidenecyclohexyl)-5-N-pentylideneheptane-3,5-diimine.
What is the SMILES notation for 7-(4-ethylidenecyclohexyl)-5-N-pentylideneheptane-3,5-diimine?
The canonical SMILES for 7-(4-ethylidenecyclohexyl)-5-N-pentylideneheptane-3,5-diimine is [H]/N=C(\CC)CC(CCC1CCC(=CC)CC1)/N=C/CCCC.
What is the InChIKey of 7-(4-ethylidenecyclohexyl)-5-N-pentylideneheptane-3,5-diimine?
The InChIKey is GJKSAZXXWONFRD-YWIRKGDXSA-N. The full InChI is InChI=1S/C20H36N2/c1-4-7-8-15-22-20(16-19(21)6-3)14-13-18-11-9-17(5-2)10-12-18/h5,15,18,20-21H,4,6-14,16H2,1-3H3/b17-5-,21-19+,22-15+.
What are the key properties of 7-(4-ethylidenecyclohexyl)-5-N-pentylideneheptane-3,5-diimine?
7-(4-ethylidenecyclohexyl)-5-N-pentylideneheptane-3,5-diimine has a molecular weight of 304.52 g/mol, XLogP of 6.35, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-ethylidenecyclohexyl)-5-N-pentylideneheptane-3,5-diimine is sourced from PubChem (CID 178080486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).