1,2-diazacycloheptadec-15-yne

C15H28N2 — CID 176560279

IUPAC1,2-diazacycloheptadec-15-yne
SMILESC1#CCNNCCCCCCCCCCCC1
InChIInChI=1S/C15H28N2/c1-2-4-6-8-10-12-14-16-17-15-13-11-9-7-5-3-1/h16-17H,1-10,12,14-15H2
InChIKeyIHOVCOZAFQRUTC-UHFFFAOYSA-N
MW236.40 g/mol
LogP3.39
Rot. Bonds

About 1,2-diazacycloheptadec-15-yne

1,2-diazacycloheptadec-15-yne (PubChem CID 176560279) has the molecular formula C15H28N2 and a molecular weight of 236.40 g/mol. Its IUPAC name is 1,2-diazacycloheptadec-15-yne.

Molecular Properties

Compound Name1,2-diazacycloheptadec-15-yne
PubChem CID176560279
Molecular FormulaC15H28N2
Molecular Weight236.40 g/mol
Exact Mass236.23
IUPAC Name1,2-diazacycloheptadec-15-yne
SMILESC1#CCNNCCCCCCCCCCCC1
InChIInChI=1S/C15H28N2/c1-2-4-6-8-10-12-14-16-17-15-13-11-9-7-5-3-1/h16-17H,1-10,12,14-15H2
InChIKeyIHOVCOZAFQRUTC-UHFFFAOYSA-N
XLogP3.39
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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pyrazolidine;hydrochloride
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diazinane;methanol;tungsten
CID 162764240

Frequently Asked Questions

What is the IUPAC name of 1,2-diazacycloheptadec-15-yne?
The IUPAC name of 1,2-diazacycloheptadec-15-yne (CID 176560279) is 1,2-diazacycloheptadec-15-yne.
What is the SMILES notation for 1,2-diazacycloheptadec-15-yne?
The canonical SMILES for 1,2-diazacycloheptadec-15-yne is C1#CCNNCCCCCCCCCCCC1.
What is the InChIKey of 1,2-diazacycloheptadec-15-yne?
The InChIKey is IHOVCOZAFQRUTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2/c1-2-4-6-8-10-12-14-16-17-15-13-11-9-7-5-3-1/h16-17H,1-10,12,14-15H2.
What are the key properties of 1,2-diazacycloheptadec-15-yne?
1,2-diazacycloheptadec-15-yne has a molecular weight of 236.40 g/mol, XLogP of 3.39, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diazacycloheptadec-15-yne is sourced from PubChem (CID 176560279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).