1-cycloocta-1,4-dien-1-yl-3,4-dimethyl-2-methylidene-6-(4-methylpiperazin-1-yl)hexan-1-imine

C22H37N3 — CID 123477319

IUPAC1-cycloocta-1,4-dien-1-yl-3,4-dimethyl-2-methylidene-6-(4-methylpiperazin-1-yl)hexan-1-imine
SMILES[H]/N=C(\C(=C)C(C)C(C)CCN1CCN(C)CC1)C1=CCC=CCCC1
InChIInChI=1S/C22H37N3/c1-18(12-13-25-16-14-24(4)15-17-25)19(2)20(3)22(23)21-10-8-6-5-7-9-11-21/h5-6,10,18-19,23H,3,7-9,11-17H2,1-2,4H3/b6-5?,21-10?,23-22+
InChIKeyFGTKBFXDKLOWJG-RGAJYPHOSA-N
MW343.56 g/mol
LogP4.53
Rot. Bonds7

About 1-cycloocta-1,4-dien-1-yl-3,4-dimethyl-2-methylidene-6-(4-methylpiperazin-1-yl)hexan-1-imine

1-cycloocta-1,4-dien-1-yl-3,4-dimethyl-2-methylidene-6-(4-methylpiperazin-1-yl)hexan-1-imine (PubChem CID 123477319) has the molecular formula C22H37N3 and a molecular weight of 343.56 g/mol. Its IUPAC name is 1-cycloocta-1,4-dien-1-yl-3,4-dimethyl-2-methylidene-6-(4-methylpiperazin-1-yl)hexan-1-imine.

Molecular Properties

Compound Name1-cycloocta-1,4-dien-1-yl-3,4-dimethyl-2-methylidene-6-(4-methylpiperazin-1-yl)hexan-1-imine
PubChem CID123477319
Molecular FormulaC22H37N3
Molecular Weight343.56 g/mol
Exact Mass343.30
IUPAC Name1-cycloocta-1,4-dien-1-yl-3,4-dimethyl-2-methylidene-6-(4-methylpiperazin-1-yl)hexan-1-imine
SMILES[H]/N=C(\C(=C)C(C)C(C)CCN1CCN(C)CC1)C1=CCC=CCCC1
InChIInChI=1S/C22H37N3/c1-18(12-13-25-16-14-24(4)15-17-25)19(2)20(3)22(23)21-10-8-6-5-7-9-11-21/h5-6,10,18-19,23H,3,7-9,11-17H2,1-2,4H3/b6-5?,21-10?,23-22+
InChIKeyFGTKBFXDKLOWJG-RGAJYPHOSA-N
XLogP4.53
TPSA30.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.56
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-cycloocta-1,4-dien-1-yl-3,4-dimethyl-2-methylidene-6-(4-methylpiperazin-1-yl)hexan-1-imine with MolForge

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Launch Full Analysis

Related Compounds

1-(Cyclohexen-1-yl)-2-[4-(4-methylpiperidin-1-yl)cyclohexyl]prop-2-en-1-imine
CID 89563253
5-Methyl-4-[(4-methylpiperazin-1-yl)methyl]cyclohex-2-en-1-imine
CID 123282533
(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-6-(3,4-dimethyl-4H-pyridin-1-yl)-3,4-dimethyl-2-methylidenehexan-1-imine
CID 123574938
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

Frequently Asked Questions

What is the IUPAC name of 1-cycloocta-1,4-dien-1-yl-3,4-dimethyl-2-methylidene-6-(4-methylpiperazin-1-yl)hexan-1-imine?
The IUPAC name of 1-cycloocta-1,4-dien-1-yl-3,4-dimethyl-2-methylidene-6-(4-methylpiperazin-1-yl)hexan-1-imine (CID 123477319) is 1-cycloocta-1,4-dien-1-yl-3,4-dimethyl-2-methylidene-6-(4-methylpiperazin-1-yl)hexan-1-imine.
What is the SMILES notation for 1-cycloocta-1,4-dien-1-yl-3,4-dimethyl-2-methylidene-6-(4-methylpiperazin-1-yl)hexan-1-imine?
The canonical SMILES for 1-cycloocta-1,4-dien-1-yl-3,4-dimethyl-2-methylidene-6-(4-methylpiperazin-1-yl)hexan-1-imine is [H]/N=C(\C(=C)C(C)C(C)CCN1CCN(C)CC1)C1=CCC=CCCC1.
What is the InChIKey of 1-cycloocta-1,4-dien-1-yl-3,4-dimethyl-2-methylidene-6-(4-methylpiperazin-1-yl)hexan-1-imine?
The InChIKey is FGTKBFXDKLOWJG-RGAJYPHOSA-N. The full InChI is InChI=1S/C22H37N3/c1-18(12-13-25-16-14-24(4)15-17-25)19(2)20(3)22(23)21-10-8-6-5-7-9-11-21/h5-6,10,18-19,23H,3,7-9,11-17H2,1-2,4H3/b6-5?,21-10?,23-22+.
What are the key properties of 1-cycloocta-1,4-dien-1-yl-3,4-dimethyl-2-methylidene-6-(4-methylpiperazin-1-yl)hexan-1-imine?
1-cycloocta-1,4-dien-1-yl-3,4-dimethyl-2-methylidene-6-(4-methylpiperazin-1-yl)hexan-1-imine has a molecular weight of 343.56 g/mol, XLogP of 4.53, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloocta-1,4-dien-1-yl-3,4-dimethyl-2-methylidene-6-(4-methylpiperazin-1-yl)hexan-1-imine is sourced from PubChem (CID 123477319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).