1,10-diazabicyclo[8.8.3]henicosa-5,14-diyne

C19H30N2 — CID 15448490

IUPAC1,10-diazabicyclo[8.8.3]henicosa-5,14-diyne
SMILESC1#CCCCN2CCCC#CCCCN(CCC1)CCC2
InChIInChI=1S/C19H30N2/c1-2-6-10-15-21-17-12-8-4-3-7-11-16-20(14-9-5-1)18-13-19-21/h5-19H2
InChIKeyJVYNXUCLCCIDJE-UHFFFAOYSA-N
MW286.46 g/mol
LogP3.14
Rot. Bonds

About 1,10-diazabicyclo[8.8.3]henicosa-5,14-diyne

1,10-diazabicyclo[8.8.3]henicosa-5,14-diyne (PubChem CID 15448490) has the molecular formula C19H30N2 and a molecular weight of 286.46 g/mol. Its IUPAC name is 1,10-diazabicyclo[8.8.3]henicosa-5,14-diyne.

Molecular Properties

Compound Name1,10-diazabicyclo[8.8.3]henicosa-5,14-diyne
PubChem CID15448490
Molecular FormulaC19H30N2
Molecular Weight286.46 g/mol
Exact Mass286.24
IUPAC Name1,10-diazabicyclo[8.8.3]henicosa-5,14-diyne
SMILESC1#CCCCN2CCCC#CCCCN(CCC1)CCC2
InChIInChI=1S/C19H30N2/c1-2-6-10-15-21-17-12-8-4-3-7-11-16-20(14-9-5-1)18-13-19-21/h5-19H2
InChIKeyJVYNXUCLCCIDJE-UHFFFAOYSA-N
XLogP3.14
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1,10-diazabicyclo[8.8.3]henicosa-5,14-diyne 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

1,8-diazabicyclo[6.6.6]icosa-4,11,17-triyne
CID 15267349
cyclooctane;1,7-diazabicyclo[5.5.3]pentadecane;methane
CID 162186921
4,5,15,16-tetrathia-1,8,12,19-tetrazatricyclo[17.3.3.38,12]octacosane
CID 101009023
1,4,7,10-tetrazabicyclo[5.5.3]pentadecane
CID 15800439
4,11-dichloro-1,4,8,11-tetrazabicyclo[6.6.2]hexadecane;manganese
CID 158152491
copper-64;4,11-dimethyl-1,4,8,11-tetrazabicyclo[6.5.2]pentadecane;dihydrate
CID 59094858
4,11-dichloro-1,4,8,11-tetrazabicyclo[6.6.2]hexadecane;bis(4,10-dichloro-1,4,7,10-tetrazabicyclo[5.5.2]tetradecane);bis(iron(2+));manganese(2+)
CID 158258576
tris(1,4-diazabicyclo[2.2.2]octane);trihydrate
CID 139060935
4,7,13-trimethyl-1,4,7,10,13-pentazabicyclo[8.5.4]nonadecane
CID 59108275
dichloromanganese;4,11-dimethyl-1,4,8,11-tetrazabicyclo[6.6.2]hexadecane
CID 22969681
(4Z)-1,8-diazabicyclo[6.6.6]icos-4-ene
CID 11300425
1-azabicyclo[8.8.8]hexacosane
CID 66583548

Frequently Asked Questions

What is the IUPAC name of 1,10-diazabicyclo[8.8.3]henicosa-5,14-diyne?
The IUPAC name of 1,10-diazabicyclo[8.8.3]henicosa-5,14-diyne (CID 15448490) is 1,10-diazabicyclo[8.8.3]henicosa-5,14-diyne.
What is the SMILES notation for 1,10-diazabicyclo[8.8.3]henicosa-5,14-diyne?
The canonical SMILES for 1,10-diazabicyclo[8.8.3]henicosa-5,14-diyne is C1#CCCCN2CCCC#CCCCN(CCC1)CCC2.
What is the InChIKey of 1,10-diazabicyclo[8.8.3]henicosa-5,14-diyne?
The InChIKey is JVYNXUCLCCIDJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2/c1-2-6-10-15-21-17-12-8-4-3-7-11-16-20(14-9-5-1)18-13-19-21/h5-19H2.
What are the key properties of 1,10-diazabicyclo[8.8.3]henicosa-5,14-diyne?
1,10-diazabicyclo[8.8.3]henicosa-5,14-diyne has a molecular weight of 286.46 g/mol, XLogP of 3.14, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,10-diazabicyclo[8.8.3]henicosa-5,14-diyne is sourced from PubChem (CID 15448490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).