2,5-diazabicyclo[5.5.0]dodeca-1(12),7,10-triene;methane

C11H18N2 — CID 162272604

IUPAC2,5-diazabicyclo[5.5.0]dodeca-1(12),7,10-triene;methane
SMILESC.C1=CCC=C2CNCCNC2=C1
InChIInChI=1S/C10H14N2.CH4/c1-2-4-9-8-11-6-7-12-10(9)5-3-1;/h1,3-5,11-12H,2,6-8H2;1H4
InChIKeyRTMQSHVUXRSUBX-UHFFFAOYSA-N
MW178.28 g/mol
LogP1.59
Rot. Bonds

About 2,5-diazabicyclo[5.5.0]dodeca-1(12),7,10-triene;methane

2,5-diazabicyclo[5.5.0]dodeca-1(12),7,10-triene;methane (PubChem CID 162272604) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 2,5-diazabicyclo[5.5.0]dodeca-1(12),7,10-triene;methane.

Molecular Properties

Compound Name2,5-diazabicyclo[5.5.0]dodeca-1(12),7,10-triene;methane
PubChem CID162272604
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name2,5-diazabicyclo[5.5.0]dodeca-1(12),7,10-triene;methane
SMILESC.C1=CCC=C2CNCCNC2=C1
InChIInChI=1S/C10H14N2.CH4/c1-2-4-9-8-11-6-7-12-10(9)5-3-1;/h1,3-5,11-12H,2,6-8H2;1H4
InChIKeyRTMQSHVUXRSUBX-UHFFFAOYSA-N
XLogP1.59
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-Fluoro-5-(4-methyl-1,4-diazepan-1-yl)cyclohepta-1,3,5-trien-1-amine
CID 143483003
5-methyl-7-[(2Z)-3-methylpenta-2,4-dienyl]-2,5-dihydro-1H-azepine
CID 89171179
N-ethyl-5-(ethylaminomethyl)cyclopenta-1,4-dien-1-amine
CID 89205989
5,6-Di(propan-2-ylidene)-1,4-diazepane
CID 90244237
2,12-Dimethyl-2,5-diazabicyclo[5.5.0]dodeca-1(7),8,10-triene
CID 90949977
2,5-Diazabicyclo[5.5.0]dodeca-1(7),8,10-triene
CID 91429507
12-Methyl-1,4-diazabicyclo[5.5.0]dodeca-7,8,11-triene
CID 122605718
N,N'-dimethyl-N'-(3-methylhexa-1,3,5-trien-2-yl)ethane-1,2-diamine
CID 123662048
1-Hexa-2,4-dien-3-yl-1,4-diazepane
CID 123860987
8,12-Dimethyl-1,4-diazabicyclo[5.5.0]dodeca-7,11-diene
CID 124006265
N,N'-dimethyl-N'-(5-methylhexa-1,3,5-trien-2-yl)ethane-1,2-diamine
CID 124013809
2-N-[(2E)-2-ethenyl-5-methylhexa-2,4-dienyl]-3-N-[2-[[(3Z)-5-methylhexa-1,3,5-trien-2-yl]amino]ethyl]but-1-ene-2,3-diamine
CID 129055603

Frequently Asked Questions

What is the IUPAC name of 2,5-diazabicyclo[5.5.0]dodeca-1(12),7,10-triene;methane?
The IUPAC name of 2,5-diazabicyclo[5.5.0]dodeca-1(12),7,10-triene;methane (CID 162272604) is 2,5-diazabicyclo[5.5.0]dodeca-1(12),7,10-triene;methane.
What is the SMILES notation for 2,5-diazabicyclo[5.5.0]dodeca-1(12),7,10-triene;methane?
The canonical SMILES for 2,5-diazabicyclo[5.5.0]dodeca-1(12),7,10-triene;methane is C.C1=CCC=C2CNCCNC2=C1.
What is the InChIKey of 2,5-diazabicyclo[5.5.0]dodeca-1(12),7,10-triene;methane?
The InChIKey is RTMQSHVUXRSUBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2.CH4/c1-2-4-9-8-11-6-7-12-10(9)5-3-1;/h1,3-5,11-12H,2,6-8H2;1H4.
What are the key properties of 2,5-diazabicyclo[5.5.0]dodeca-1(12),7,10-triene;methane?
2,5-diazabicyclo[5.5.0]dodeca-1(12),7,10-triene;methane has a molecular weight of 178.28 g/mol, XLogP of 1.59, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diazabicyclo[5.5.0]dodeca-1(12),7,10-triene;methane is sourced from PubChem (CID 162272604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).