2-methyl-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane

C16H28N2 — CID 5149522

IUPAC2-methyl-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane
SMILESCC12CCCCN1CC1CC2CN2CCCCC12
InChIInChI=1S/C16H28N2/c1-16-7-3-5-9-18(16)11-13-10-14(16)12-17-8-4-2-6-15(13)17/h13-15H,2-12H2,1H3
InChIKeyCMKZBDRPQFPVHH-UHFFFAOYSA-N
MW248.41 g/mol
LogP2.74
Rot. Bonds

About 2-methyl-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane

2-methyl-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane (PubChem CID 5149522) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is 2-methyl-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane.

Molecular Properties

Compound Name2-methyl-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane
PubChem CID5149522
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC Name2-methyl-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane
SMILESCC12CCCCN1CC1CC2CN2CCCCC12
InChIInChI=1S/C16H28N2/c1-16-7-3-5-9-18(16)11-13-10-14(16)12-17-8-4-2-6-15(13)17/h13-15H,2-12H2,1H3
InChIKeyCMKZBDRPQFPVHH-UHFFFAOYSA-N
XLogP2.74
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane?
The IUPAC name of 2-methyl-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane (CID 5149522) is 2-methyl-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane.
What is the SMILES notation for 2-methyl-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane?
The canonical SMILES for 2-methyl-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane is CC12CCCCN1CC1CC2CN2CCCCC12.
What is the InChIKey of 2-methyl-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane?
The InChIKey is CMKZBDRPQFPVHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-16-7-3-5-9-18(16)11-13-10-14(16)12-17-8-4-2-6-15(13)17/h13-15H,2-12H2,1H3.
What are the key properties of 2-methyl-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane?
2-methyl-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane has a molecular weight of 248.41 g/mol, XLogP of 2.74, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane is sourced from PubChem (CID 5149522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).