3,4,4-trimethyl-5,6,7,8-tetrahydro-4aH-cinnoline

C11H18N2 — CID 134896374

IUPAC3,4,4-trimethyl-5,6,7,8-tetrahydro-4aH-cinnoline
SMILESCC1=NN=C2CCCCC2C1(C)C
InChIInChI=1S/C11H18N2/c1-8-11(2,3)9-6-4-5-7-10(9)13-12-8/h9H,4-7H2,1-3H3
InChIKeyKKXJRSLCJNPLAK-UHFFFAOYSA-N
MW178.28 g/mol
LogP3.03
Rot. Bonds

About 3,4,4-trimethyl-5,6,7,8-tetrahydro-4aH-cinnoline

3,4,4-trimethyl-5,6,7,8-tetrahydro-4aH-cinnoline (PubChem CID 134896374) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 3,4,4-trimethyl-5,6,7,8-tetrahydro-4aH-cinnoline.

Molecular Properties

Compound Name3,4,4-trimethyl-5,6,7,8-tetrahydro-4aH-cinnoline
PubChem CID134896374
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name3,4,4-trimethyl-5,6,7,8-tetrahydro-4aH-cinnoline
SMILESCC1=NN=C2CCCCC2C1(C)C
InChIInChI=1S/C11H18N2/c1-8-11(2,3)9-6-4-5-7-10(9)13-12-8/h9H,4-7H2,1-3H3
InChIKeyKKXJRSLCJNPLAK-UHFFFAOYSA-N
XLogP3.03
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Diazobicyclohexane
CID 23314028
Cyclohexanone, 4-(1,1-dimethylethyl)-, hydrazone
CID 13974063
2,3-Diazaspiro[4.5]deca-1,3-diene, 1,4-dimethyl-
CID 548920
(Z)-(1-cyclohexyl-3,3-dimethylbutylidene)hydrazine
CID 59350949
(E)-(1-cyclohexyl-3,3-dimethylbutylidene)hydrazine
CID 59351019
N-(cyclohexylideneamino)-3,3,5-trimethylcyclohexan-1-imine
CID 70616042
(1-Cyclohexyl-3,3-dimethylbutylidene)hydrazine
CID 72268055
4-Tert-butylcyclohexan-1-imine
CID 85987105
N-(methylideneamino)-4-(2,2,6-trimethylcyclohexyl)butan-2-imine
CID 123546983
1-Tert-butyl-4,7-dimethyl-4a,5,6,7,8,9,10,10a-octahydrocycloocta[d]pyridazine
CID 139443879
2-Diazo-1-methyl-4-propan-2-ylcyclohexane
CID 140030059
1-Cyclohexyl-2,2,3-trimethylbutan-1-imine
CID 142560281

Frequently Asked Questions

What is the IUPAC name of 3,4,4-trimethyl-5,6,7,8-tetrahydro-4aH-cinnoline?
The IUPAC name of 3,4,4-trimethyl-5,6,7,8-tetrahydro-4aH-cinnoline (CID 134896374) is 3,4,4-trimethyl-5,6,7,8-tetrahydro-4aH-cinnoline.
What is the SMILES notation for 3,4,4-trimethyl-5,6,7,8-tetrahydro-4aH-cinnoline?
The canonical SMILES for 3,4,4-trimethyl-5,6,7,8-tetrahydro-4aH-cinnoline is CC1=NN=C2CCCCC2C1(C)C.
What is the InChIKey of 3,4,4-trimethyl-5,6,7,8-tetrahydro-4aH-cinnoline?
The InChIKey is KKXJRSLCJNPLAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-8-11(2,3)9-6-4-5-7-10(9)13-12-8/h9H,4-7H2,1-3H3.
What are the key properties of 3,4,4-trimethyl-5,6,7,8-tetrahydro-4aH-cinnoline?
3,4,4-trimethyl-5,6,7,8-tetrahydro-4aH-cinnoline has a molecular weight of 178.28 g/mol, XLogP of 3.03, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,4-trimethyl-5,6,7,8-tetrahydro-4aH-cinnoline is sourced from PubChem (CID 134896374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).