N-ethyl-5,5-dimethyl-1,4-dihydrobenzo[g]indazol-3-amine

C15H19N3 — CID 55145183

IUPACN-ethyl-5,5-dimethyl-1,4-dihydrobenzo[g]indazol-3-amine
SMILESCCNc1n[nH]c2c1CC(C)(C)c1ccccc1-2
InChIInChI=1S/C15H19N3/c1-4-16-14-11-9-15(2,3)12-8-6-5-7-10(12)13(11)17-18-14/h5-8H,4,9H2,1-3H3,(H2,16,17,18)
InChIKeyUIGXXMDZSIOKOL-UHFFFAOYSA-N
MW241.34 g/mol
LogP3.34
Rot. Bonds2

About N-ethyl-5,5-dimethyl-1,4-dihydrobenzo[g]indazol-3-amine

N-ethyl-5,5-dimethyl-1,4-dihydrobenzo[g]indazol-3-amine (PubChem CID 55145183) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is N-ethyl-5,5-dimethyl-1,4-dihydrobenzo[g]indazol-3-amine.

Molecular Properties

Compound NameN-ethyl-5,5-dimethyl-1,4-dihydrobenzo[g]indazol-3-amine
PubChem CID55145183
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC NameN-ethyl-5,5-dimethyl-1,4-dihydrobenzo[g]indazol-3-amine
SMILESCCNc1n[nH]c2c1CC(C)(C)c1ccccc1-2
InChIInChI=1S/C15H19N3/c1-4-16-14-11-9-15(2,3)12-8-6-5-7-10(12)13(11)17-18-14/h5-8H,4,9H2,1-3H3,(H2,16,17,18)
InChIKeyUIGXXMDZSIOKOL-UHFFFAOYSA-N
XLogP3.34
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5,5-dimethyl-1,4-dihydrobenzo[g]indazol-3-amine?
The IUPAC name of N-ethyl-5,5-dimethyl-1,4-dihydrobenzo[g]indazol-3-amine (CID 55145183) is N-ethyl-5,5-dimethyl-1,4-dihydrobenzo[g]indazol-3-amine.
What is the SMILES notation for N-ethyl-5,5-dimethyl-1,4-dihydrobenzo[g]indazol-3-amine?
The canonical SMILES for N-ethyl-5,5-dimethyl-1,4-dihydrobenzo[g]indazol-3-amine is CCNc1n[nH]c2c1CC(C)(C)c1ccccc1-2.
What is the InChIKey of N-ethyl-5,5-dimethyl-1,4-dihydrobenzo[g]indazol-3-amine?
The InChIKey is UIGXXMDZSIOKOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-4-16-14-11-9-15(2,3)12-8-6-5-7-10(12)13(11)17-18-14/h5-8H,4,9H2,1-3H3,(H2,16,17,18).
What are the key properties of N-ethyl-5,5-dimethyl-1,4-dihydrobenzo[g]indazol-3-amine?
N-ethyl-5,5-dimethyl-1,4-dihydrobenzo[g]indazol-3-amine has a molecular weight of 241.34 g/mol, XLogP of 3.34, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5,5-dimethyl-1,4-dihydrobenzo[g]indazol-3-amine is sourced from PubChem (CID 55145183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).