N'-(1-cyclohexa-1,5-dien-1-yl-4-ethyl-7-methyl-2-methylideneoct-6-enyl)-2-methylidenehex-5-enimidamide

C25H38N2 — CID 146660472

IUPACN'-(1-cyclohexa-1,5-dien-1-yl-4-ethyl-7-methyl-2-methylideneoct-6-enyl)-2-methylidenehex-5-enimidamide
SMILESC=CCCC(=C)/C(N)=N/C(C(=C)CC(CC)CC=C(C)C)C1=CCCC=C1
InChIInChI=1S/C25H38N2/c1-7-9-13-20(5)25(26)27-24(23-14-11-10-12-15-23)21(6)18-22(8-2)17-16-19(3)4/h7,11,14-16,22,24H,1,5-6,8-10,12-13,17-18H2,2-4H3,(H2,26,27)
InChIKeyKOAKWLSNMQHEPA-UHFFFAOYSA-N
MW366.59 g/mol
LogP6.84
Rot. Bonds12

About N'-(1-cyclohexa-1,5-dien-1-yl-4-ethyl-7-methyl-2-methylideneoct-6-enyl)-2-methylidenehex-5-enimidamide

N'-(1-cyclohexa-1,5-dien-1-yl-4-ethyl-7-methyl-2-methylideneoct-6-enyl)-2-methylidenehex-5-enimidamide (PubChem CID 146660472) has the molecular formula C25H38N2 and a molecular weight of 366.59 g/mol. Its IUPAC name is N'-(1-cyclohexa-1,5-dien-1-yl-4-ethyl-7-methyl-2-methylideneoct-6-enyl)-2-methylidenehex-5-enimidamide.

Molecular Properties

Compound NameN'-(1-cyclohexa-1,5-dien-1-yl-4-ethyl-7-methyl-2-methylideneoct-6-enyl)-2-methylidenehex-5-enimidamide
PubChem CID146660472
Molecular FormulaC25H38N2
Molecular Weight366.59 g/mol
Exact Mass366.30
IUPAC NameN'-(1-cyclohexa-1,5-dien-1-yl-4-ethyl-7-methyl-2-methylideneoct-6-enyl)-2-methylidenehex-5-enimidamide
SMILESC=CCCC(=C)/C(N)=N/C(C(=C)CC(CC)CC=C(C)C)C1=CCCC=C1
InChIInChI=1S/C25H38N2/c1-7-9-13-20(5)25(26)27-24(23-14-11-10-12-15-23)21(6)18-22(8-2)17-16-19(3)4/h7,11,14-16,22,24H,1,5-6,8-10,12-13,17-18H2,2-4H3,(H2,26,27)
InChIKeyKOAKWLSNMQHEPA-UHFFFAOYSA-N
XLogP6.84
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.59
LogP ≤ 56.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N'-(1-cyclohexa-1,5-dien-1-yl-4-ethyl-7-methyl-2-methylideneoct-6-enyl)-2-methylidenehex-5-enimidamide 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 N'-(1-cyclohexa-1,5-dien-1-yl-4-ethyl-7-methyl-2-methylideneoct-6-enyl)-2-methylidenehex-5-enimidamide?
The IUPAC name of N'-(1-cyclohexa-1,5-dien-1-yl-4-ethyl-7-methyl-2-methylideneoct-6-enyl)-2-methylidenehex-5-enimidamide (CID 146660472) is N'-(1-cyclohexa-1,5-dien-1-yl-4-ethyl-7-methyl-2-methylideneoct-6-enyl)-2-methylidenehex-5-enimidamide.
What is the SMILES notation for N'-(1-cyclohexa-1,5-dien-1-yl-4-ethyl-7-methyl-2-methylideneoct-6-enyl)-2-methylidenehex-5-enimidamide?
The canonical SMILES for N'-(1-cyclohexa-1,5-dien-1-yl-4-ethyl-7-methyl-2-methylideneoct-6-enyl)-2-methylidenehex-5-enimidamide is C=CCCC(=C)/C(N)=N/C(C(=C)CC(CC)CC=C(C)C)C1=CCCC=C1.
What is the InChIKey of N'-(1-cyclohexa-1,5-dien-1-yl-4-ethyl-7-methyl-2-methylideneoct-6-enyl)-2-methylidenehex-5-enimidamide?
The InChIKey is KOAKWLSNMQHEPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H38N2/c1-7-9-13-20(5)25(26)27-24(23-14-11-10-12-15-23)21(6)18-22(8-2)17-16-19(3)4/h7,11,14-16,22,24H,1,5-6,8-10,12-13,17-18H2,2-4H3,(H2,26,27).
What are the key properties of N'-(1-cyclohexa-1,5-dien-1-yl-4-ethyl-7-methyl-2-methylideneoct-6-enyl)-2-methylidenehex-5-enimidamide?
N'-(1-cyclohexa-1,5-dien-1-yl-4-ethyl-7-methyl-2-methylideneoct-6-enyl)-2-methylidenehex-5-enimidamide has a molecular weight of 366.59 g/mol, XLogP of 6.84, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-cyclohexa-1,5-dien-1-yl-4-ethyl-7-methyl-2-methylideneoct-6-enyl)-2-methylidenehex-5-enimidamide is sourced from PubChem (CID 146660472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).