[(2E)-4-methylimino-2-(3-methyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)-1-(3-propylhexyl)piperidin-3-ylidene]methanamine

C24H37N3 — CID 143875886

IUPAC[(2E)-4-methylimino-2-(3-methyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)-1-(3-propylhexyl)piperidin-3-ylidene]methanamine
SMILESC=c1ccc(C)c/c1=C1/C(=CN)/C(=N/C)CCN1CCC(CCC)CCC
InChIInChI=1S/C24H37N3/c1-6-8-20(9-7-2)12-14-27-15-13-23(26-5)22(17-25)24(27)21-16-18(3)10-11-19(21)4/h10-11,16-17,20H,4,6-9,12-15,25H2,1-3,5H3/b22-17?,24-21+,26-23+
InChIKeyXZZNVEIBNQGDBY-DTBKTOFLSA-N
MW367.58 g/mol
LogP3.74
Rot. Bonds7

About [(2E)-4-methylimino-2-(3-methyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)-1-(3-propylhexyl)piperidin-3-ylidene]methanamine

[(2E)-4-methylimino-2-(3-methyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)-1-(3-propylhexyl)piperidin-3-ylidene]methanamine (PubChem CID 143875886) has the molecular formula C24H37N3 and a molecular weight of 367.58 g/mol. Its IUPAC name is [(2E)-4-methylimino-2-(3-methyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)-1-(3-propylhexyl)piperidin-3-ylidene]methanamine.

Molecular Properties

Compound Name[(2E)-4-methylimino-2-(3-methyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)-1-(3-propylhexyl)piperidin-3-ylidene]methanamine
PubChem CID143875886
Molecular FormulaC24H37N3
Molecular Weight367.58 g/mol
Exact Mass367.30
IUPAC Name[(2E)-4-methylimino-2-(3-methyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)-1-(3-propylhexyl)piperidin-3-ylidene]methanamine
SMILESC=c1ccc(C)c/c1=C1/C(=CN)/C(=N/C)CCN1CCC(CCC)CCC
InChIInChI=1S/C24H37N3/c1-6-8-20(9-7-2)12-14-27-15-13-23(26-5)22(17-25)24(27)21-16-18(3)10-11-19(21)4/h10-11,16-17,20H,4,6-9,12-15,25H2,1-3,5H3/b22-17?,24-21+,26-23+
InChIKeyXZZNVEIBNQGDBY-DTBKTOFLSA-N
XLogP3.74
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.58
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [(2E)-4-methylimino-2-(3-methyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)-1-(3-propylhexyl)piperidin-3-ylidene]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(2E)-4-methylimino-2-(3-methyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)-1-(3-propylhexyl)piperidin-3-ylidene]methanamine?
The IUPAC name of [(2E)-4-methylimino-2-(3-methyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)-1-(3-propylhexyl)piperidin-3-ylidene]methanamine (CID 143875886) is [(2E)-4-methylimino-2-(3-methyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)-1-(3-propylhexyl)piperidin-3-ylidene]methanamine.
What is the SMILES notation for [(2E)-4-methylimino-2-(3-methyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)-1-(3-propylhexyl)piperidin-3-ylidene]methanamine?
The canonical SMILES for [(2E)-4-methylimino-2-(3-methyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)-1-(3-propylhexyl)piperidin-3-ylidene]methanamine is C=c1ccc(C)c/c1=C1/C(=CN)/C(=N/C)CCN1CCC(CCC)CCC.
What is the InChIKey of [(2E)-4-methylimino-2-(3-methyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)-1-(3-propylhexyl)piperidin-3-ylidene]methanamine?
The InChIKey is XZZNVEIBNQGDBY-DTBKTOFLSA-N. The full InChI is InChI=1S/C24H37N3/c1-6-8-20(9-7-2)12-14-27-15-13-23(26-5)22(17-25)24(27)21-16-18(3)10-11-19(21)4/h10-11,16-17,20H,4,6-9,12-15,25H2,1-3,5H3/b22-17?,24-21+,26-23+.
What are the key properties of [(2E)-4-methylimino-2-(3-methyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)-1-(3-propylhexyl)piperidin-3-ylidene]methanamine?
[(2E)-4-methylimino-2-(3-methyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)-1-(3-propylhexyl)piperidin-3-ylidene]methanamine has a molecular weight of 367.58 g/mol, XLogP of 3.74, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E)-4-methylimino-2-(3-methyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)-1-(3-propylhexyl)piperidin-3-ylidene]methanamine is sourced from PubChem (CID 143875886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).