2,9-dimethyl-1,4,6,8,11,13-hexazatetracyclo[6.6.2.04,16.011,15]hexadecane

C12H24N6 — CID 134811525

IUPAC2,9-dimethyl-1,4,6,8,11,13-hexazatetracyclo[6.6.2.04,16.011,15]hexadecane
SMILESCC1CN2CNCN3C(C)CN4CNCN1C4C23
InChIInChI=1S/C12H24N6/c1-9-3-15-5-14-8-18-10(2)4-16-6-13-7-17(9)11(16)12(15)18/h9-14H,3-8H2,1-2H3
InChIKeyHZVOCINYYQBERS-UHFFFAOYSA-N
MW252.37 g/mol
LogP-1.31
Rot. Bonds

About 2,9-dimethyl-1,4,6,8,11,13-hexazatetracyclo[6.6.2.04,16.011,15]hexadecane

2,9-dimethyl-1,4,6,8,11,13-hexazatetracyclo[6.6.2.04,16.011,15]hexadecane (PubChem CID 134811525) has the molecular formula C12H24N6 and a molecular weight of 252.37 g/mol. Its IUPAC name is 2,9-dimethyl-1,4,6,8,11,13-hexazatetracyclo[6.6.2.04,16.011,15]hexadecane.

Molecular Properties

Compound Name2,9-dimethyl-1,4,6,8,11,13-hexazatetracyclo[6.6.2.04,16.011,15]hexadecane
PubChem CID134811525
Molecular FormulaC12H24N6
Molecular Weight252.37 g/mol
Exact Mass252.21
IUPAC Name2,9-dimethyl-1,4,6,8,11,13-hexazatetracyclo[6.6.2.04,16.011,15]hexadecane
SMILESCC1CN2CNCN3C(C)CN4CNCN1C4C23
InChIInChI=1S/C12H24N6/c1-9-3-15-5-14-8-18-10(2)4-16-6-13-7-17(9)11(16)12(15)18/h9-14H,3-8H2,1-2H3
InChIKeyHZVOCINYYQBERS-UHFFFAOYSA-N
XLogP-1.31
TPSA37.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.37
LogP ≤ 5-1.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,9-dimethyl-1,4,6,8,11,13-hexazatetracyclo[6.6.2.04,16.011,15]hexadecane?
The IUPAC name of 2,9-dimethyl-1,4,6,8,11,13-hexazatetracyclo[6.6.2.04,16.011,15]hexadecane (CID 134811525) is 2,9-dimethyl-1,4,6,8,11,13-hexazatetracyclo[6.6.2.04,16.011,15]hexadecane.
What is the SMILES notation for 2,9-dimethyl-1,4,6,8,11,13-hexazatetracyclo[6.6.2.04,16.011,15]hexadecane?
The canonical SMILES for 2,9-dimethyl-1,4,6,8,11,13-hexazatetracyclo[6.6.2.04,16.011,15]hexadecane is CC1CN2CNCN3C(C)CN4CNCN1C4C23.
What is the InChIKey of 2,9-dimethyl-1,4,6,8,11,13-hexazatetracyclo[6.6.2.04,16.011,15]hexadecane?
The InChIKey is HZVOCINYYQBERS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N6/c1-9-3-15-5-14-8-18-10(2)4-16-6-13-7-17(9)11(16)12(15)18/h9-14H,3-8H2,1-2H3.
What are the key properties of 2,9-dimethyl-1,4,6,8,11,13-hexazatetracyclo[6.6.2.04,16.011,15]hexadecane?
2,9-dimethyl-1,4,6,8,11,13-hexazatetracyclo[6.6.2.04,16.011,15]hexadecane has a molecular weight of 252.37 g/mol, XLogP of -1.31, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9-dimethyl-1,4,6,8,11,13-hexazatetracyclo[6.6.2.04,16.011,15]hexadecane is sourced from PubChem (CID 134811525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).