13-methyl-1,15-diazabicyclo[10.4.0]hexadeca-13,15-diene

C15H26N2 — CID 126704468

IUPAC13-methyl-1,15-diazabicyclo[10.4.0]hexadeca-13,15-diene
SMILESCC1=CN=CN2CCCCCCCCCCC12
InChIInChI=1S/C15H26N2/c1-14-12-16-13-17-11-9-7-5-3-2-4-6-8-10-15(14)17/h12-13,15H,2-11H2,1H3
InChIKeySHPDMFYRLVDYGP-UHFFFAOYSA-N
MW234.39 g/mol
LogP4.13
Rot. Bonds

About 13-methyl-1,15-diazabicyclo[10.4.0]hexadeca-13,15-diene

13-methyl-1,15-diazabicyclo[10.4.0]hexadeca-13,15-diene (PubChem CID 126704468) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is 13-methyl-1,15-diazabicyclo[10.4.0]hexadeca-13,15-diene.

Molecular Properties

Compound Name13-methyl-1,15-diazabicyclo[10.4.0]hexadeca-13,15-diene
PubChem CID126704468
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name13-methyl-1,15-diazabicyclo[10.4.0]hexadeca-13,15-diene
SMILESCC1=CN=CN2CCCCCCCCCCC12
InChIInChI=1S/C15H26N2/c1-14-12-16-13-17-11-9-7-5-3-2-4-6-8-10-15(14)17/h12-13,15H,2-11H2,1H3
InChIKeySHPDMFYRLVDYGP-UHFFFAOYSA-N
XLogP4.13
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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4-chloro-6-methyl-2-[(2R)-1-methylpiperidin-2-yl]pyrimidine
CID 95804428
(3R,10S)-1,8-diazatricyclo[8.4.0.03,8]tetradecane-2,9-dione
CID 97436024
1-methyl-2-phenylazepane
CID 23447707
4-methyl-3-(1-methylpiperidin-2-yl)pyridine
CID 102539165
1-(2-methyl-1H-imidazol-5-yl)-2-phenylpiperidine
CID 67815603
4-[2-(2-chloroethyl)piperidin-1-yl]-2,6-dimethylpyrimidine
CID 55184425
2-(2-methylphenyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
CID 79930292
(3S,9aS)-3-benzyl-2-methyl-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
CID 102263386
6-methyl-1,8-diazatricyclo[8.6.0.02,7]hexadeca-2,4,6-trien-9-one
CID 114240010
cyclohexyl-[2-(3-methyl-1,2-oxazol-5-yl)azepan-1-yl]methanone
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Frequently Asked Questions

What is the IUPAC name of 13-methyl-1,15-diazabicyclo[10.4.0]hexadeca-13,15-diene?
The IUPAC name of 13-methyl-1,15-diazabicyclo[10.4.0]hexadeca-13,15-diene (CID 126704468) is 13-methyl-1,15-diazabicyclo[10.4.0]hexadeca-13,15-diene.
What is the SMILES notation for 13-methyl-1,15-diazabicyclo[10.4.0]hexadeca-13,15-diene?
The canonical SMILES for 13-methyl-1,15-diazabicyclo[10.4.0]hexadeca-13,15-diene is CC1=CN=CN2CCCCCCCCCCC12.
What is the InChIKey of 13-methyl-1,15-diazabicyclo[10.4.0]hexadeca-13,15-diene?
The InChIKey is SHPDMFYRLVDYGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-14-12-16-13-17-11-9-7-5-3-2-4-6-8-10-15(14)17/h12-13,15H,2-11H2,1H3.
What are the key properties of 13-methyl-1,15-diazabicyclo[10.4.0]hexadeca-13,15-diene?
13-methyl-1,15-diazabicyclo[10.4.0]hexadeca-13,15-diene has a molecular weight of 234.39 g/mol, XLogP of 4.13, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 13-methyl-1,15-diazabicyclo[10.4.0]hexadeca-13,15-diene is sourced from PubChem (CID 126704468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).