(8Z)-8,10-diamino-17-cyclohexyl-1,10,15,18-tetrazabicyclo[18.3.0]tricos-8-ene-2,16,19-trione

C25H44N6O3 — CID 139565559

IUPAC(8Z)-8,10-diamino-17-cyclohexyl-1,10,15,18-tetrazabicyclo[18.3.0]tricos-8-ene-2,16,19-trione
SMILESN/C1=C\N(N)CCCCNC(=O)C(C2CCCCC2)NC(=O)C2CCCN2C(=O)CCCCC1
InChIInChI=1S/C25H44N6O3/c26-20-12-5-2-6-14-22(32)31-17-9-13-21(31)24(33)29-23(19-10-3-1-4-11-19)25(34)28-15-7-8-16-30(27)18-20/h18-19,21,23H,1-17,26-27H2,(H,28,34)(H,29,33)/b20-18-
InChIKeyNUIDGRRPLKKDQS-ZZEZOPTASA-N
MW476.67 g/mol
LogP1.88
Rot. Bonds1

About (8Z)-8,10-diamino-17-cyclohexyl-1,10,15,18-tetrazabicyclo[18.3.0]tricos-8-ene-2,16,19-trione

(8Z)-8,10-diamino-17-cyclohexyl-1,10,15,18-tetrazabicyclo[18.3.0]tricos-8-ene-2,16,19-trione (PubChem CID 139565559) has the molecular formula C25H44N6O3 and a molecular weight of 476.67 g/mol. Its IUPAC name is (8Z)-8,10-diamino-17-cyclohexyl-1,10,15,18-tetrazabicyclo[18.3.0]tricos-8-ene-2,16,19-trione.

Molecular Properties

Compound Name(8Z)-8,10-diamino-17-cyclohexyl-1,10,15,18-tetrazabicyclo[18.3.0]tricos-8-ene-2,16,19-trione
PubChem CID139565559
Molecular FormulaC25H44N6O3
Molecular Weight476.67 g/mol
Exact Mass476.35
IUPAC Name(8Z)-8,10-diamino-17-cyclohexyl-1,10,15,18-tetrazabicyclo[18.3.0]tricos-8-ene-2,16,19-trione
SMILESN/C1=C\N(N)CCCCNC(=O)C(C2CCCCC2)NC(=O)C2CCCN2C(=O)CCCCC1
InChIInChI=1S/C25H44N6O3/c26-20-12-5-2-6-14-22(32)31-17-9-13-21(31)24(33)29-23(19-10-3-1-4-11-19)25(34)28-15-7-8-16-30(27)18-20/h18-19,21,23H,1-17,26-27H2,(H,28,34)(H,29,33)/b20-18-
InChIKeyNUIDGRRPLKKDQS-ZZEZOPTASA-N
XLogP1.88
TPSA133.79 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.67
LogP ≤ 51.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (8Z)-8,10-diamino-17-cyclohexyl-1,10,15,18-tetrazabicyclo[18.3.0]tricos-8-ene-2,16,19-trione?
The IUPAC name of (8Z)-8,10-diamino-17-cyclohexyl-1,10,15,18-tetrazabicyclo[18.3.0]tricos-8-ene-2,16,19-trione (CID 139565559) is (8Z)-8,10-diamino-17-cyclohexyl-1,10,15,18-tetrazabicyclo[18.3.0]tricos-8-ene-2,16,19-trione.
What is the SMILES notation for (8Z)-8,10-diamino-17-cyclohexyl-1,10,15,18-tetrazabicyclo[18.3.0]tricos-8-ene-2,16,19-trione?
The canonical SMILES for (8Z)-8,10-diamino-17-cyclohexyl-1,10,15,18-tetrazabicyclo[18.3.0]tricos-8-ene-2,16,19-trione is N/C1=C\N(N)CCCCNC(=O)C(C2CCCCC2)NC(=O)C2CCCN2C(=O)CCCCC1.
What is the InChIKey of (8Z)-8,10-diamino-17-cyclohexyl-1,10,15,18-tetrazabicyclo[18.3.0]tricos-8-ene-2,16,19-trione?
The InChIKey is NUIDGRRPLKKDQS-ZZEZOPTASA-N. The full InChI is InChI=1S/C25H44N6O3/c26-20-12-5-2-6-14-22(32)31-17-9-13-21(31)24(33)29-23(19-10-3-1-4-11-19)25(34)28-15-7-8-16-30(27)18-20/h18-19,21,23H,1-17,26-27H2,(H,28,34)(H,29,33)/b20-18-.
What are the key properties of (8Z)-8,10-diamino-17-cyclohexyl-1,10,15,18-tetrazabicyclo[18.3.0]tricos-8-ene-2,16,19-trione?
(8Z)-8,10-diamino-17-cyclohexyl-1,10,15,18-tetrazabicyclo[18.3.0]tricos-8-ene-2,16,19-trione has a molecular weight of 476.67 g/mol, XLogP of 1.88, 1 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (8Z)-8,10-diamino-17-cyclohexyl-1,10,15,18-tetrazabicyclo[18.3.0]tricos-8-ene-2,16,19-trione is sourced from PubChem (CID 139565559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).