N-[N-[(Z)-hex-2-en-4-ynyl]-C-prop-2-enylcarbonimidoyl]-N'-methyl-3-(methylamino)-4-[(E)-pent-2-enyl]cyclohepta-1,6-diene-1-carboximidamide

C25H36N4 — CID 170391200

IUPACN-[N-[(Z)-hex-2-en-4-ynyl]-C-prop-2-enylcarbonimidoyl]-N'-methyl-3-(methylamino)-4-[(E)-pent-2-enyl]cyclohepta-1,6-diene-1-carboximidamide
SMILESC=CC/C(=N\C/C=C\C#CC)N/C(=N\C)C1=CC(NC)C(C/C=C/CC)CC=C1
InChIInChI=1S/C25H36N4/c1-6-9-11-13-19-28-24(15-8-3)29-25(27-5)22-18-14-17-21(16-12-10-7-2)23(20-22)26-4/h8,10-14,18,20-21,23,26H,3,7,15-17,19H2,1-2,4-5H3,(H,27,28,29)/b12-10+,13-11-
InChIKeyOCWUADIKTFJLEJ-FAEGWCMCSA-N
MW392.59 g/mol
LogP4.61
Rot. Bonds9

About N-[N-[(Z)-hex-2-en-4-ynyl]-C-prop-2-enylcarbonimidoyl]-N'-methyl-3-(methylamino)-4-[(E)-pent-2-enyl]cyclohepta-1,6-diene-1-carboximidamide

N-[N-[(Z)-hex-2-en-4-ynyl]-C-prop-2-enylcarbonimidoyl]-N'-methyl-3-(methylamino)-4-[(E)-pent-2-enyl]cyclohepta-1,6-diene-1-carboximidamide (PubChem CID 170391200) has the molecular formula C25H36N4 and a molecular weight of 392.59 g/mol. Its IUPAC name is N-[N-[(Z)-hex-2-en-4-ynyl]-C-prop-2-enylcarbonimidoyl]-N'-methyl-3-(methylamino)-4-[(E)-pent-2-enyl]cyclohepta-1,6-diene-1-carboximidamide.

Molecular Properties

Compound NameN-[N-[(Z)-hex-2-en-4-ynyl]-C-prop-2-enylcarbonimidoyl]-N'-methyl-3-(methylamino)-4-[(E)-pent-2-enyl]cyclohepta-1,6-diene-1-carboximidamide
PubChem CID170391200
Molecular FormulaC25H36N4
Molecular Weight392.59 g/mol
Exact Mass392.29
IUPAC NameN-[N-[(Z)-hex-2-en-4-ynyl]-C-prop-2-enylcarbonimidoyl]-N'-methyl-3-(methylamino)-4-[(E)-pent-2-enyl]cyclohepta-1,6-diene-1-carboximidamide
SMILESC=CC/C(=N\C/C=C\C#CC)N/C(=N\C)C1=CC(NC)C(C/C=C/CC)CC=C1
InChIInChI=1S/C25H36N4/c1-6-9-11-13-19-28-24(15-8-3)29-25(27-5)22-18-14-17-21(16-12-10-7-2)23(20-22)26-4/h8,10-14,18,20-21,23,26H,3,7,15-17,19H2,1-2,4-5H3,(H,27,28,29)/b12-10+,13-11-
InChIKeyOCWUADIKTFJLEJ-FAEGWCMCSA-N
XLogP4.61
TPSA48.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.59
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze N-[N-[(Z)-hex-2-en-4-ynyl]-C-prop-2-enylcarbonimidoyl]-N'-methyl-3-(methylamino)-4-[(E)-pent-2-enyl]cyclohepta-1,6-diene-1-carboximidamide 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-[N-[(Z)-hex-2-en-4-ynyl]-C-prop-2-enylcarbonimidoyl]-N'-methyl-3-(methylamino)-4-[(E)-pent-2-enyl]cyclohepta-1,6-diene-1-carboximidamide?
The IUPAC name of N-[N-[(Z)-hex-2-en-4-ynyl]-C-prop-2-enylcarbonimidoyl]-N'-methyl-3-(methylamino)-4-[(E)-pent-2-enyl]cyclohepta-1,6-diene-1-carboximidamide (CID 170391200) is N-[N-[(Z)-hex-2-en-4-ynyl]-C-prop-2-enylcarbonimidoyl]-N'-methyl-3-(methylamino)-4-[(E)-pent-2-enyl]cyclohepta-1,6-diene-1-carboximidamide.
What is the SMILES notation for N-[N-[(Z)-hex-2-en-4-ynyl]-C-prop-2-enylcarbonimidoyl]-N'-methyl-3-(methylamino)-4-[(E)-pent-2-enyl]cyclohepta-1,6-diene-1-carboximidamide?
The canonical SMILES for N-[N-[(Z)-hex-2-en-4-ynyl]-C-prop-2-enylcarbonimidoyl]-N'-methyl-3-(methylamino)-4-[(E)-pent-2-enyl]cyclohepta-1,6-diene-1-carboximidamide is C=CC/C(=N\C/C=C\C#CC)N/C(=N\C)C1=CC(NC)C(C/C=C/CC)CC=C1.
What is the InChIKey of N-[N-[(Z)-hex-2-en-4-ynyl]-C-prop-2-enylcarbonimidoyl]-N'-methyl-3-(methylamino)-4-[(E)-pent-2-enyl]cyclohepta-1,6-diene-1-carboximidamide?
The InChIKey is OCWUADIKTFJLEJ-FAEGWCMCSA-N. The full InChI is InChI=1S/C25H36N4/c1-6-9-11-13-19-28-24(15-8-3)29-25(27-5)22-18-14-17-21(16-12-10-7-2)23(20-22)26-4/h8,10-14,18,20-21,23,26H,3,7,15-17,19H2,1-2,4-5H3,(H,27,28,29)/b12-10+,13-11-.
What are the key properties of N-[N-[(Z)-hex-2-en-4-ynyl]-C-prop-2-enylcarbonimidoyl]-N'-methyl-3-(methylamino)-4-[(E)-pent-2-enyl]cyclohepta-1,6-diene-1-carboximidamide?
N-[N-[(Z)-hex-2-en-4-ynyl]-C-prop-2-enylcarbonimidoyl]-N'-methyl-3-(methylamino)-4-[(E)-pent-2-enyl]cyclohepta-1,6-diene-1-carboximidamide has a molecular weight of 392.59 g/mol, XLogP of 4.61, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[N-[(Z)-hex-2-en-4-ynyl]-C-prop-2-enylcarbonimidoyl]-N'-methyl-3-(methylamino)-4-[(E)-pent-2-enyl]cyclohepta-1,6-diene-1-carboximidamide is sourced from PubChem (CID 170391200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).