2,12-dimethyl-2,5-diazabicyclo[5.5.0]dodeca-1(7),8,10-triene

C12H18N2 — CID 90949977

IUPAC2,12-dimethyl-2,5-diazabicyclo[5.5.0]dodeca-1(7),8,10-triene
SMILESCC1C=CC=CC2=C1N(C)CCNC2
InChIInChI=1S/C12H18N2/c1-10-5-3-4-6-11-9-13-7-8-14(2)12(10)11/h3-6,10,13H,7-9H2,1-2H3
InChIKeyGAZLXASWQAQKPK-UHFFFAOYSA-N
MW190.29 g/mol
LogP1.54
Rot. Bonds

About 2,12-dimethyl-2,5-diazabicyclo[5.5.0]dodeca-1(7),8,10-triene

2,12-dimethyl-2,5-diazabicyclo[5.5.0]dodeca-1(7),8,10-triene (PubChem CID 90949977) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 2,12-dimethyl-2,5-diazabicyclo[5.5.0]dodeca-1(7),8,10-triene.

Molecular Properties

Compound Name2,12-dimethyl-2,5-diazabicyclo[5.5.0]dodeca-1(7),8,10-triene
PubChem CID90949977
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name2,12-dimethyl-2,5-diazabicyclo[5.5.0]dodeca-1(7),8,10-triene
SMILESCC1C=CC=CC2=C1N(C)CCNC2
InChIInChI=1S/C12H18N2/c1-10-5-3-4-6-11-9-13-7-8-14(2)12(10)11/h3-6,10,13H,7-9H2,1-2H3
InChIKeyGAZLXASWQAQKPK-UHFFFAOYSA-N
XLogP1.54
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,12-dimethyl-2,5-diazabicyclo[5.5.0]dodeca-1(7),8,10-triene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2E,4E)-3-ethenyl-1-N-[(E)-2-ethylpent-2-enyl]-4-fluorohexa-2,4-diene-1,2-diamine
CID 143686557
1-Methyl-2,3,4,9a-tetrahydro-1,4-benzodiazepin-8-amine
CID 67264034
6-Methyl-1,2,5,7-tetrahydropyrrolo[3,4-b]pyridine
CID 68013593
5-methyl-1-(2-methylpropyl)-2H-pyridin-3-amine
CID 70436240
1-[(2E,4E)-4-methylhepta-2,4,6-trien-3-yl]piperazine
CID 88910974
N',N'-dimethyl-N-[(2Z,4Z)-4-methylhexa-2,4-dienyl]ethane-1,2-diamine
CID 88945052
5-methyl-7-[(2Z)-3-methylpenta-2,4-dienyl]-2,5-dihydro-1H-azepine
CID 89171179
(Z)-3-N-methyl-2-[(Z)-prop-1-enyl]pent-2-ene-1,3-diamine
CID 89185746
N',N'-dimethyl-N-[(2E)-4-methylpenta-2,4-dien-2-yl]ethane-1,2-diamine
CID 89318104
N',N'-diethyl-N-[1-(4-methylcyclohexa-1,5-dien-1-yl)ethenyl]ethane-1,2-diamine
CID 89337015
6,7-di(propan-2-ylidene)-2,3-dihydro-1H-azepine
CID 90244224
1-(5-Methylhepta-1,3,5-trien-2-yl)piperazine
CID 90950031

Frequently Asked Questions

What is the IUPAC name of 2,12-dimethyl-2,5-diazabicyclo[5.5.0]dodeca-1(7),8,10-triene?
The IUPAC name of 2,12-dimethyl-2,5-diazabicyclo[5.5.0]dodeca-1(7),8,10-triene (CID 90949977) is 2,12-dimethyl-2,5-diazabicyclo[5.5.0]dodeca-1(7),8,10-triene.
What is the SMILES notation for 2,12-dimethyl-2,5-diazabicyclo[5.5.0]dodeca-1(7),8,10-triene?
The canonical SMILES for 2,12-dimethyl-2,5-diazabicyclo[5.5.0]dodeca-1(7),8,10-triene is CC1C=CC=CC2=C1N(C)CCNC2.
What is the InChIKey of 2,12-dimethyl-2,5-diazabicyclo[5.5.0]dodeca-1(7),8,10-triene?
The InChIKey is GAZLXASWQAQKPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c1-10-5-3-4-6-11-9-13-7-8-14(2)12(10)11/h3-6,10,13H,7-9H2,1-2H3.
What are the key properties of 2,12-dimethyl-2,5-diazabicyclo[5.5.0]dodeca-1(7),8,10-triene?
2,12-dimethyl-2,5-diazabicyclo[5.5.0]dodeca-1(7),8,10-triene has a molecular weight of 190.29 g/mol, XLogP of 1.54, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,12-dimethyl-2,5-diazabicyclo[5.5.0]dodeca-1(7),8,10-triene is sourced from PubChem (CID 90949977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).