N-ethyl-6-(2-methylbutan-2-yl)-5,6,7,8-tetrahydrocinnolin-3-amine

C15H25N3 — CID 62783866

IUPACN-ethyl-6-(2-methylbutan-2-yl)-5,6,7,8-tetrahydrocinnolin-3-amine
SMILESCCNc1cc2c(nn1)CCC(C(C)(C)CC)C2
InChIInChI=1S/C15H25N3/c1-5-15(3,4)12-7-8-13-11(9-12)10-14(16-6-2)18-17-13/h10,12H,5-9H2,1-4H3,(H,16,18)
InChIKeyGXVHZTFVGFBACG-UHFFFAOYSA-N
MW247.39 g/mol
LogP3.45
Rot. Bonds4

About N-ethyl-6-(2-methylbutan-2-yl)-5,6,7,8-tetrahydrocinnolin-3-amine

N-ethyl-6-(2-methylbutan-2-yl)-5,6,7,8-tetrahydrocinnolin-3-amine (PubChem CID 62783866) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is N-ethyl-6-(2-methylbutan-2-yl)-5,6,7,8-tetrahydrocinnolin-3-amine.

Molecular Properties

Compound NameN-ethyl-6-(2-methylbutan-2-yl)-5,6,7,8-tetrahydrocinnolin-3-amine
PubChem CID62783866
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC NameN-ethyl-6-(2-methylbutan-2-yl)-5,6,7,8-tetrahydrocinnolin-3-amine
SMILESCCNc1cc2c(nn1)CCC(C(C)(C)CC)C2
InChIInChI=1S/C15H25N3/c1-5-15(3,4)12-7-8-13-11(9-12)10-14(16-6-2)18-17-13/h10,12H,5-9H2,1-4H3,(H,16,18)
InChIKeyGXVHZTFVGFBACG-UHFFFAOYSA-N
XLogP3.45
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-ethyl-6-(2-methylbutan-2-yl)-5,6,7,8-tetrahydrocinnolin-3-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-(2-methylbutan-2-yl)-5,6,7,8-tetrahydrocinnolin-3-amine?
The IUPAC name of N-ethyl-6-(2-methylbutan-2-yl)-5,6,7,8-tetrahydrocinnolin-3-amine (CID 62783866) is N-ethyl-6-(2-methylbutan-2-yl)-5,6,7,8-tetrahydrocinnolin-3-amine.
What is the SMILES notation for N-ethyl-6-(2-methylbutan-2-yl)-5,6,7,8-tetrahydrocinnolin-3-amine?
The canonical SMILES for N-ethyl-6-(2-methylbutan-2-yl)-5,6,7,8-tetrahydrocinnolin-3-amine is CCNc1cc2c(nn1)CCC(C(C)(C)CC)C2.
What is the InChIKey of N-ethyl-6-(2-methylbutan-2-yl)-5,6,7,8-tetrahydrocinnolin-3-amine?
The InChIKey is GXVHZTFVGFBACG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-5-15(3,4)12-7-8-13-11(9-12)10-14(16-6-2)18-17-13/h10,12H,5-9H2,1-4H3,(H,16,18).
What are the key properties of N-ethyl-6-(2-methylbutan-2-yl)-5,6,7,8-tetrahydrocinnolin-3-amine?
N-ethyl-6-(2-methylbutan-2-yl)-5,6,7,8-tetrahydrocinnolin-3-amine has a molecular weight of 247.39 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-(2-methylbutan-2-yl)-5,6,7,8-tetrahydrocinnolin-3-amine is sourced from PubChem (CID 62783866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).