3,7-dimethyl-2,7-dihydro-1H-cyclohepta[b]pyrazine;ethane

C13H20N2 — CID 142072078

IUPAC3,7-dimethyl-2,7-dihydro-1H-cyclohepta[b]pyrazine;ethane
SMILESCC.CC1=NC2=C(C=CC(C)C=C2)NC1
InChIInChI=1S/C11H14N2.C2H6/c1-8-3-5-10-11(6-4-8)13-9(2)7-12-10;1-2/h3-6,8,12H,7H2,1-2H3;1-2H3
InChIKeyQKPJSWJNVQXGAC-UHFFFAOYSA-N
MW204.32 g/mol
LogP3.05
Rot. Bonds

About 3,7-dimethyl-2,7-dihydro-1H-cyclohepta[b]pyrazine;ethane

3,7-dimethyl-2,7-dihydro-1H-cyclohepta[b]pyrazine;ethane (PubChem CID 142072078) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 3,7-dimethyl-2,7-dihydro-1H-cyclohepta[b]pyrazine;ethane.

Molecular Properties

Compound Name3,7-dimethyl-2,7-dihydro-1H-cyclohepta[b]pyrazine;ethane
PubChem CID142072078
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name3,7-dimethyl-2,7-dihydro-1H-cyclohepta[b]pyrazine;ethane
SMILESCC.CC1=NC2=C(C=CC(C)C=C2)NC1
InChIInChI=1S/C11H14N2.C2H6/c1-8-3-5-10-11(6-4-8)13-9(2)7-12-10;1-2/h3-6,8,12H,7H2,1-2H3;1-2H3
InChIKeyQKPJSWJNVQXGAC-UHFFFAOYSA-N
XLogP3.05
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3,7-dimethyl-2,7-dihydro-1H-cyclohepta[b]pyrazine;ethane 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

(E)-N-isopropyl-7-(isopropylimino)cyclohepta-1,3,5-trienamine
CID 777099
(Z)-N-(2-methylpropyl)-4-(2-methylpropylimino)pent-2-en-2-amine
CID 49804015
(Z)-4-methylimino-N-(2-methylpropyl)pent-2-en-2-amine
CID 11309750
4-methylimino-N-(2-methylpropyl)pent-2-en-2-amine
CID 53435576
N-(2-methylpropyl)-4-(2-methylpropylimino)pent-2-en-2-amine
CID 75282889
(3Z)-N-ethyl-5-methyl-3-[1-(propan-2-ylideneamino)ethenyl]hexa-3,5-dien-1-amine
CID 91426030
N-[(1Z)-1-[(5Z)-5-ethylidene-1,2-dihydropyridin-6-ylidene]ethyl]butan-1-imine
CID 118124176
3-methyl-6,7,8,9-tetrahydro-3H-pyrido[4,3-b]azepine
CID 123521363
(2E,4Z)-6-imino-2-methyl-N,N'-dipropylhepta-2,4-diene-1,7-diamine
CID 124112563
(3Z,5Z)-2-imino-4-N-methyl-4-N-(2-methylpropyl)hepta-3,5-diene-3,4-diamine
CID 126599359
N-[(5,7-dimethyl-1-azacyclohepta-1,3,4,6-tetraen-2-yl)methyl]ethanamine
CID 129045664
3-Methyl-1,2,7,8-tetrahydroquinoxaline
CID 129059843

Frequently Asked Questions

What is the IUPAC name of 3,7-dimethyl-2,7-dihydro-1H-cyclohepta[b]pyrazine;ethane?
The IUPAC name of 3,7-dimethyl-2,7-dihydro-1H-cyclohepta[b]pyrazine;ethane (CID 142072078) is 3,7-dimethyl-2,7-dihydro-1H-cyclohepta[b]pyrazine;ethane.
What is the SMILES notation for 3,7-dimethyl-2,7-dihydro-1H-cyclohepta[b]pyrazine;ethane?
The canonical SMILES for 3,7-dimethyl-2,7-dihydro-1H-cyclohepta[b]pyrazine;ethane is CC.CC1=NC2=C(C=CC(C)C=C2)NC1.
What is the InChIKey of 3,7-dimethyl-2,7-dihydro-1H-cyclohepta[b]pyrazine;ethane?
The InChIKey is QKPJSWJNVQXGAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2.C2H6/c1-8-3-5-10-11(6-4-8)13-9(2)7-12-10;1-2/h3-6,8,12H,7H2,1-2H3;1-2H3.
What are the key properties of 3,7-dimethyl-2,7-dihydro-1H-cyclohepta[b]pyrazine;ethane?
3,7-dimethyl-2,7-dihydro-1H-cyclohepta[b]pyrazine;ethane has a molecular weight of 204.32 g/mol, XLogP of 3.05, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethyl-2,7-dihydro-1H-cyclohepta[b]pyrazine;ethane is sourced from PubChem (CID 142072078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).