(9Z)-8,10-diamino-16-cyclohexyl-1,8,14,17-tetrazabicyclo[17.3.0]docos-9-ene-2,15,18-trione

C24H42N6O3 — CID 139565560

IUPAC(9Z)-8,10-diamino-16-cyclohexyl-1,8,14,17-tetrazabicyclo[17.3.0]docos-9-ene-2,15,18-trione
SMILESN/C1=C\N(N)CCCCCC(=O)N2CCCC2C(=O)NC(C2CCCCC2)C(=O)NCCC1
InChIInChI=1S/C24H42N6O3/c25-19-11-7-14-27-24(33)22(18-9-3-1-4-10-18)28-23(32)20-12-8-16-30(20)21(31)13-5-2-6-15-29(26)17-19/h17-18,20,22H,1-16,25-26H2,(H,27,33)(H,28,32)/b19-17-
InChIKeyBDEVWYKTCPIMNP-ZPHPHTNESA-N
MW462.64 g/mol
LogP1.49
Rot. Bonds1

About (9Z)-8,10-diamino-16-cyclohexyl-1,8,14,17-tetrazabicyclo[17.3.0]docos-9-ene-2,15,18-trione

(9Z)-8,10-diamino-16-cyclohexyl-1,8,14,17-tetrazabicyclo[17.3.0]docos-9-ene-2,15,18-trione (PubChem CID 139565560) has the molecular formula C24H42N6O3 and a molecular weight of 462.64 g/mol. Its IUPAC name is (9Z)-8,10-diamino-16-cyclohexyl-1,8,14,17-tetrazabicyclo[17.3.0]docos-9-ene-2,15,18-trione.

Molecular Properties

Compound Name(9Z)-8,10-diamino-16-cyclohexyl-1,8,14,17-tetrazabicyclo[17.3.0]docos-9-ene-2,15,18-trione
PubChem CID139565560
Molecular FormulaC24H42N6O3
Molecular Weight462.64 g/mol
Exact Mass462.33
IUPAC Name(9Z)-8,10-diamino-16-cyclohexyl-1,8,14,17-tetrazabicyclo[17.3.0]docos-9-ene-2,15,18-trione
SMILESN/C1=C\N(N)CCCCCC(=O)N2CCCC2C(=O)NC(C2CCCCC2)C(=O)NCCC1
InChIInChI=1S/C24H42N6O3/c25-19-11-7-14-27-24(33)22(18-9-3-1-4-10-18)28-23(32)20-12-8-16-30(20)21(31)13-5-2-6-15-29(26)17-19/h17-18,20,22H,1-16,25-26H2,(H,27,33)(H,28,32)/b19-17-
InChIKeyBDEVWYKTCPIMNP-ZPHPHTNESA-N
XLogP1.49
TPSA133.79 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.64
LogP ≤ 51.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (9Z)-8,10-diamino-16-cyclohexyl-1,8,14,17-tetrazabicyclo[17.3.0]docos-9-ene-2,15,18-trione with MolForge

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

Launch Full Analysis

Related Compounds

N-[2-[2-(1-aminoethenyl)pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]-2-(methylamino)acetamide
CID 139444819
(8Z)-8,10-diamino-17-cyclohexyl-1,10,15,18-tetrazabicyclo[18.3.0]tricos-8-ene-2,16,19-trione
CID 139565559
(8Z)-8-amino-16-cyclohexyl-1,10,14,17-tetrazabicyclo[17.3.0]docos-8-ene-2,15,18-trione
CID 139565561
N-[2-[3-[[(Z)-2-amino-7-oxohept-1-enyl]amino]propylamino]-1-cyclohexyl-2-oxoethyl]-1-methylpyrrolidine-2-carboxamide
CID 139565565
1-[(Z)-6-amino-7-[amino(4-formamidobutyl)amino]hept-6-enoyl]-N-(1-cyclohexylethyl)pyrrolidine-2-carboxamide
CID 139565568
N-(2-amino-3-methylidenehept-1-en-4-yl)-1-[3-cyclohexyl-3-(3-methylpentanoylamino)prop-1-en-2-yl]pyrrolidine-2-carboxamide
CID 143360935
2-Cyclohexyl-2-hydrazinyl-1-piperidin-1-ylethanone;(1-cyclohexyl-2-pyrrolidin-1-ylprop-2-enyl)hydrazine
CID 143643576
1-[2-[amino-[(Z)-2-amino-2-cyclopentylethenyl]amino]-3-methylbutanoyl]-N-methylpyrrolidine-2-carboxamide
CID 163302944
2-[amino-[(Z)-2-amino-2-cyclopentylethenyl]amino]-3-methyl-1-(2-methylpyrrolidin-1-yl)butan-1-one;N-methylformamide
CID 163303007
1-[2-(1-acetylpiperidin-4-yl)-2-[amino-[(Z)-2-amino-2-cyclopropylethenyl]amino]acetyl]-N-methylpyrrolidine-2-carboxamide
CID 163303032
1-[2-[amino-[(Z)-2-amino-2-cyclopropylethenyl]amino]-2-piperidin-4-ylacetyl]-N-methylpyrrolidine-2-carboxamide
CID 163303050
1-[2-[amino-[(Z)-2-amino-2-cyclopropylethenyl]amino]-2-(1-methylpiperidin-4-yl)acetyl]-N-methylpyrrolidine-2-carboxamide
CID 163303063

Frequently Asked Questions

What is the IUPAC name of (9Z)-8,10-diamino-16-cyclohexyl-1,8,14,17-tetrazabicyclo[17.3.0]docos-9-ene-2,15,18-trione?
The IUPAC name of (9Z)-8,10-diamino-16-cyclohexyl-1,8,14,17-tetrazabicyclo[17.3.0]docos-9-ene-2,15,18-trione (CID 139565560) is (9Z)-8,10-diamino-16-cyclohexyl-1,8,14,17-tetrazabicyclo[17.3.0]docos-9-ene-2,15,18-trione.
What is the SMILES notation for (9Z)-8,10-diamino-16-cyclohexyl-1,8,14,17-tetrazabicyclo[17.3.0]docos-9-ene-2,15,18-trione?
The canonical SMILES for (9Z)-8,10-diamino-16-cyclohexyl-1,8,14,17-tetrazabicyclo[17.3.0]docos-9-ene-2,15,18-trione is N/C1=C\N(N)CCCCCC(=O)N2CCCC2C(=O)NC(C2CCCCC2)C(=O)NCCC1.
What is the InChIKey of (9Z)-8,10-diamino-16-cyclohexyl-1,8,14,17-tetrazabicyclo[17.3.0]docos-9-ene-2,15,18-trione?
The InChIKey is BDEVWYKTCPIMNP-ZPHPHTNESA-N. The full InChI is InChI=1S/C24H42N6O3/c25-19-11-7-14-27-24(33)22(18-9-3-1-4-10-18)28-23(32)20-12-8-16-30(20)21(31)13-5-2-6-15-29(26)17-19/h17-18,20,22H,1-16,25-26H2,(H,27,33)(H,28,32)/b19-17-.
What are the key properties of (9Z)-8,10-diamino-16-cyclohexyl-1,8,14,17-tetrazabicyclo[17.3.0]docos-9-ene-2,15,18-trione?
(9Z)-8,10-diamino-16-cyclohexyl-1,8,14,17-tetrazabicyclo[17.3.0]docos-9-ene-2,15,18-trione has a molecular weight of 462.64 g/mol, XLogP of 1.49, 1 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (9Z)-8,10-diamino-16-cyclohexyl-1,8,14,17-tetrazabicyclo[17.3.0]docos-9-ene-2,15,18-trione is sourced from PubChem (CID 139565560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).