11-methyl-1,4,8,10,13,15-hexazatricyclo[13.3.1.14,8]icosane

C15H32N6 — CID 102161000

IUPAC11-methyl-1,4,8,10,13,15-hexazatricyclo[13.3.1.14,8]icosane
SMILESCC1CNCN2CCCN(CCN3CCCN(CN1)C3)C2
InChIInChI=1S/C15H32N6/c1-15-10-16-11-20-6-2-4-18(13-20)8-9-19-5-3-7-21(14-19)12-17-15/h15-17H,2-14H2,1H3
InChIKeyFUJWFPPCCIGWRI-UHFFFAOYSA-N
MW296.46 g/mol
LogP-0.59
Rot. Bonds

About 11-methyl-1,4,8,10,13,15-hexazatricyclo[13.3.1.14,8]icosane

11-methyl-1,4,8,10,13,15-hexazatricyclo[13.3.1.14,8]icosane (PubChem CID 102161000) has the molecular formula C15H32N6 and a molecular weight of 296.46 g/mol. Its IUPAC name is 11-methyl-1,4,8,10,13,15-hexazatricyclo[13.3.1.14,8]icosane.

Molecular Properties

Compound Name11-methyl-1,4,8,10,13,15-hexazatricyclo[13.3.1.14,8]icosane
PubChem CID102161000
Molecular FormulaC15H32N6
Molecular Weight296.46 g/mol
Exact Mass296.27
IUPAC Name11-methyl-1,4,8,10,13,15-hexazatricyclo[13.3.1.14,8]icosane
SMILESCC1CNCN2CCCN(CCN3CCCN(CN1)C3)C2
InChIInChI=1S/C15H32N6/c1-15-10-16-11-20-6-2-4-18(13-20)8-9-19-5-3-7-21(14-19)12-17-15/h15-17H,2-14H2,1H3
InChIKeyFUJWFPPCCIGWRI-UHFFFAOYSA-N
XLogP-0.59
TPSA37.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.46
LogP ≤ 5-0.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 11-methyl-1,4,8,10,13,15-hexazatricyclo[13.3.1.14,8]icosane?
The IUPAC name of 11-methyl-1,4,8,10,13,15-hexazatricyclo[13.3.1.14,8]icosane (CID 102161000) is 11-methyl-1,4,8,10,13,15-hexazatricyclo[13.3.1.14,8]icosane.
What is the SMILES notation for 11-methyl-1,4,8,10,13,15-hexazatricyclo[13.3.1.14,8]icosane?
The canonical SMILES for 11-methyl-1,4,8,10,13,15-hexazatricyclo[13.3.1.14,8]icosane is CC1CNCN2CCCN(CCN3CCCN(CN1)C3)C2.
What is the InChIKey of 11-methyl-1,4,8,10,13,15-hexazatricyclo[13.3.1.14,8]icosane?
The InChIKey is FUJWFPPCCIGWRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N6/c1-15-10-16-11-20-6-2-4-18(13-20)8-9-19-5-3-7-21(14-19)12-17-15/h15-17H,2-14H2,1H3.
What are the key properties of 11-methyl-1,4,8,10,13,15-hexazatricyclo[13.3.1.14,8]icosane?
11-methyl-1,4,8,10,13,15-hexazatricyclo[13.3.1.14,8]icosane has a molecular weight of 296.46 g/mol, XLogP of -0.59, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 11-methyl-1,4,8,10,13,15-hexazatricyclo[13.3.1.14,8]icosane is sourced from PubChem (CID 102161000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).