N-(3-methoxy-3-methylbutyl)-1H-indazol-6-amine

C13H19N3O — CID 106675315

IUPACN-(3-methoxy-3-methylbutyl)-1H-indazol-6-amine
SMILESCOC(C)(C)CCNc1ccc2cn[nH]c2c1
InChIInChI=1S/C13H19N3O/c1-13(2,17-3)6-7-14-11-5-4-10-9-15-16-12(10)8-11/h4-5,8-9,14H,6-7H2,1-3H3,(H,15,16)
InChIKeyPNZQXMQYHFDHLN-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.79
Rot. Bonds5

About N-(3-methoxy-3-methylbutyl)-1H-indazol-6-amine

N-(3-methoxy-3-methylbutyl)-1H-indazol-6-amine (PubChem CID 106675315) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is N-(3-methoxy-3-methylbutyl)-1H-indazol-6-amine.

Molecular Properties

Compound NameN-(3-methoxy-3-methylbutyl)-1H-indazol-6-amine
PubChem CID106675315
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC NameN-(3-methoxy-3-methylbutyl)-1H-indazol-6-amine
SMILESCOC(C)(C)CCNc1ccc2cn[nH]c2c1
InChIInChI=1S/C13H19N3O/c1-13(2,17-3)6-7-14-11-5-4-10-9-15-16-12(10)8-11/h4-5,8-9,14H,6-7H2,1-3H3,(H,15,16)
InChIKeyPNZQXMQYHFDHLN-UHFFFAOYSA-N
XLogP2.79
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-[(3-methoxy-3-methylbutyl)amino]-1,4-dihydroquinoxaline-2,3-dione
CID 106675245
N-(3-methylsulfanylpropyl)-1H-indazol-6-amine
CID 43743379
N-(3-methoxy-2-methylpropyl)-1H-indazol-6-amine
CID 116501115
N-[(3,4-dimethylphenyl)methyl]-1H-indazol-6-amine
CID 43790642
N-[(4-ethylphenyl)methyl]-1H-indazol-6-amine
CID 43743407
N-[[4-(trifluoromethyl)phenyl]methyl]-1H-indazol-6-amine
CID 5333527
N-(2-methoxy-2-methylpropyl)-1H-indazole-6-carboxamide
CID 115665391
N-(cyclohexylmethyl)-1H-indazol-6-amine
CID 5333513
N-[(5-ethylfuran-2-yl)methyl]-1H-indazol-6-amine
CID 62345636
N-[(4-propan-2-ylphenyl)methyl]-1H-indazol-6-amine
CID 43229901
ethane;6-methoxy-1H-indazole
CID 144719676
N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-1H-indazol-6-amine
CID 83090155

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxy-3-methylbutyl)-1H-indazol-6-amine?
The IUPAC name of N-(3-methoxy-3-methylbutyl)-1H-indazol-6-amine (CID 106675315) is N-(3-methoxy-3-methylbutyl)-1H-indazol-6-amine.
What is the SMILES notation for N-(3-methoxy-3-methylbutyl)-1H-indazol-6-amine?
The canonical SMILES for N-(3-methoxy-3-methylbutyl)-1H-indazol-6-amine is COC(C)(C)CCNc1ccc2cn[nH]c2c1.
What is the InChIKey of N-(3-methoxy-3-methylbutyl)-1H-indazol-6-amine?
The InChIKey is PNZQXMQYHFDHLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-13(2,17-3)6-7-14-11-5-4-10-9-15-16-12(10)8-11/h4-5,8-9,14H,6-7H2,1-3H3,(H,15,16).
What are the key properties of N-(3-methoxy-3-methylbutyl)-1H-indazol-6-amine?
N-(3-methoxy-3-methylbutyl)-1H-indazol-6-amine has a molecular weight of 233.31 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxy-3-methylbutyl)-1H-indazol-6-amine is sourced from PubChem (CID 106675315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).