1,6-di(propan-2-yl)-1,6-diazacyclodeca-3,8-diyne

C14H22N2 — CID 11830935

IUPAC1,6-di(propan-2-yl)-1,6-diazacyclodeca-3,8-diyne
SMILESCC(C)N1CC#CCN(C(C)C)CC#CC1
InChIInChI=1S/C14H22N2/c1-13(2)15-9-5-7-11-16(14(3)4)12-8-6-10-15/h13-14H,9-12H2,1-4H3
InChIKeyKICZDDAWWHYEAH-UHFFFAOYSA-N
MW218.34 g/mol
LogP1.43
Rot. Bonds2

About 1,6-di(propan-2-yl)-1,6-diazacyclodeca-3,8-diyne

1,6-di(propan-2-yl)-1,6-diazacyclodeca-3,8-diyne (PubChem CID 11830935) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 1,6-di(propan-2-yl)-1,6-diazacyclodeca-3,8-diyne.

Molecular Properties

Compound Name1,6-di(propan-2-yl)-1,6-diazacyclodeca-3,8-diyne
PubChem CID11830935
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name1,6-di(propan-2-yl)-1,6-diazacyclodeca-3,8-diyne
SMILESCC(C)N1CC#CCN(C(C)C)CC#CC1
InChIInChI=1S/C14H22N2/c1-13(2)15-9-5-7-11-16(14(3)4)12-8-6-10-15/h13-14H,9-12H2,1-4H3
InChIKeyKICZDDAWWHYEAH-UHFFFAOYSA-N
XLogP1.43
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,6-di(propan-2-yl)-1,6-diazacyclodeca-3,8-diyne?
The IUPAC name of 1,6-di(propan-2-yl)-1,6-diazacyclodeca-3,8-diyne (CID 11830935) is 1,6-di(propan-2-yl)-1,6-diazacyclodeca-3,8-diyne.
What is the SMILES notation for 1,6-di(propan-2-yl)-1,6-diazacyclodeca-3,8-diyne?
The canonical SMILES for 1,6-di(propan-2-yl)-1,6-diazacyclodeca-3,8-diyne is CC(C)N1CC#CCN(C(C)C)CC#CC1.
What is the InChIKey of 1,6-di(propan-2-yl)-1,6-diazacyclodeca-3,8-diyne?
The InChIKey is KICZDDAWWHYEAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-13(2)15-9-5-7-11-16(14(3)4)12-8-6-10-15/h13-14H,9-12H2,1-4H3.
What are the key properties of 1,6-di(propan-2-yl)-1,6-diazacyclodeca-3,8-diyne?
1,6-di(propan-2-yl)-1,6-diazacyclodeca-3,8-diyne has a molecular weight of 218.34 g/mol, XLogP of 1.43, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-di(propan-2-yl)-1,6-diazacyclodeca-3,8-diyne is sourced from PubChem (CID 11830935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).