1-cycloocta-1,4-dien-1-yl-6-(3,4-dimethyl-4H-pyridin-1-yl)-3,4-dimethyl-2-methylidenehexan-1-imine

C24H36N2 — CID 123574938

IUPAC1-cycloocta-1,4-dien-1-yl-6-(3,4-dimethyl-4H-pyridin-1-yl)-3,4-dimethyl-2-methylidenehexan-1-imine
SMILES[H]/N=C(\C(=C)C(C)C(C)CCN1C=CC(C)C(C)=C1)C1=CCC=CCCC1
InChIInChI=1S/C24H36N2/c1-18-13-15-26(17-20(18)3)16-14-19(2)21(4)22(5)24(25)23-11-9-7-6-8-10-12-23/h6-7,11,13,15,17-19,21,25H,5,8-10,12,14,16H2,1-4H3/b7-6?,23-11?,25-24+
InChIKeyIYNHCBIZUJVVGE-MXNXCYJQSA-N
MW352.57 g/mol
LogP6.65
Rot. Bonds7

About 1-cycloocta-1,4-dien-1-yl-6-(3,4-dimethyl-4H-pyridin-1-yl)-3,4-dimethyl-2-methylidenehexan-1-imine

1-cycloocta-1,4-dien-1-yl-6-(3,4-dimethyl-4H-pyridin-1-yl)-3,4-dimethyl-2-methylidenehexan-1-imine (PubChem CID 123574938) has the molecular formula C24H36N2 and a molecular weight of 352.57 g/mol. Its IUPAC name is 1-cycloocta-1,4-dien-1-yl-6-(3,4-dimethyl-4H-pyridin-1-yl)-3,4-dimethyl-2-methylidenehexan-1-imine.

Molecular Properties

Compound Name1-cycloocta-1,4-dien-1-yl-6-(3,4-dimethyl-4H-pyridin-1-yl)-3,4-dimethyl-2-methylidenehexan-1-imine
PubChem CID123574938
Molecular FormulaC24H36N2
Molecular Weight352.57 g/mol
Exact Mass352.29
IUPAC Name1-cycloocta-1,4-dien-1-yl-6-(3,4-dimethyl-4H-pyridin-1-yl)-3,4-dimethyl-2-methylidenehexan-1-imine
SMILES[H]/N=C(\C(=C)C(C)C(C)CCN1C=CC(C)C(C)=C1)C1=CCC=CCCC1
InChIInChI=1S/C24H36N2/c1-18-13-15-26(17-20(18)3)16-14-19(2)21(4)22(5)24(25)23-11-9-7-6-8-10-12-23/h6-7,11,13,15,17-19,21,25H,5,8-10,12,14,16H2,1-4H3/b7-6?,23-11?,25-24+
InChIKeyIYNHCBIZUJVVGE-MXNXCYJQSA-N
XLogP6.65
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.57
LogP ≤ 56.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1-Tert-butyl-4-ethyl-4-methyl-2,3-dihydropyridin-5-yl)-[4-[1-(4-tert-butyl-5,8,8-trimethylcycloocten-1-yl)ethenyl]-6-methylcyclohexa-2,4-dien-1-yl]methanimine
CID 123244153
(7Z)-6-imino-N-methyl-3,5-dimethylidene-7-(4-methylpent-4-en-2-yl)-8-(2-methylprop-2-enyl)-N-propyldodeca-7,10-dien-1-amine
CID 123332239
1-Cycloocta-1,4-dien-1-yl-3,4-dimethyl-2-methylidene-6-(4-methylpiperazin-1-yl)hexan-1-imine
CID 123477319
5-(cycloocta-1,4-diene-1-carboximidoyl)-N,3,4-trimethyl-N-propylhex-5-en-1-amine
CID 123645917
1-Cycloocta-1,4-dien-1-yl-3,4-dimethyl-2-methylidene-6-(4-propylpiperazin-1-yl)hexan-1-imine
CID 123916865
(7E)-6-imino-N-methyl-7-(3-methylbut-3-en-2-yl)-3,5-dimethylidene-N-propyldodeca-7,10-dien-1-amine
CID 123979813
(E)-2-ethenyl-1-N-ethyl-1-N,4,7-trimethyl-6-methyliminonon-7-ene-1,8-diamine
CID 156479521
(Z)-7-[(Z)-dec-4-enyl]-8-ethyl-5-imino-N,N-dimethyloctadec-12-en-1-amine
CID 167038586
1-[4-(N-ethenyl-C-ethylcarbonimidoyl)cyclohex-3-en-1-yl]-N-methylmethanamine
CID 155720872

Frequently Asked Questions

What is the IUPAC name of 1-cycloocta-1,4-dien-1-yl-6-(3,4-dimethyl-4H-pyridin-1-yl)-3,4-dimethyl-2-methylidenehexan-1-imine?
The IUPAC name of 1-cycloocta-1,4-dien-1-yl-6-(3,4-dimethyl-4H-pyridin-1-yl)-3,4-dimethyl-2-methylidenehexan-1-imine (CID 123574938) is 1-cycloocta-1,4-dien-1-yl-6-(3,4-dimethyl-4H-pyridin-1-yl)-3,4-dimethyl-2-methylidenehexan-1-imine.
What is the SMILES notation for 1-cycloocta-1,4-dien-1-yl-6-(3,4-dimethyl-4H-pyridin-1-yl)-3,4-dimethyl-2-methylidenehexan-1-imine?
The canonical SMILES for 1-cycloocta-1,4-dien-1-yl-6-(3,4-dimethyl-4H-pyridin-1-yl)-3,4-dimethyl-2-methylidenehexan-1-imine is [H]/N=C(\C(=C)C(C)C(C)CCN1C=CC(C)C(C)=C1)C1=CCC=CCCC1.
What is the InChIKey of 1-cycloocta-1,4-dien-1-yl-6-(3,4-dimethyl-4H-pyridin-1-yl)-3,4-dimethyl-2-methylidenehexan-1-imine?
The InChIKey is IYNHCBIZUJVVGE-MXNXCYJQSA-N. The full InChI is InChI=1S/C24H36N2/c1-18-13-15-26(17-20(18)3)16-14-19(2)21(4)22(5)24(25)23-11-9-7-6-8-10-12-23/h6-7,11,13,15,17-19,21,25H,5,8-10,12,14,16H2,1-4H3/b7-6?,23-11?,25-24+.
What are the key properties of 1-cycloocta-1,4-dien-1-yl-6-(3,4-dimethyl-4H-pyridin-1-yl)-3,4-dimethyl-2-methylidenehexan-1-imine?
1-cycloocta-1,4-dien-1-yl-6-(3,4-dimethyl-4H-pyridin-1-yl)-3,4-dimethyl-2-methylidenehexan-1-imine has a molecular weight of 352.57 g/mol, XLogP of 6.65, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloocta-1,4-dien-1-yl-6-(3,4-dimethyl-4H-pyridin-1-yl)-3,4-dimethyl-2-methylidenehexan-1-imine is sourced from PubChem (CID 123574938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).