N-(2-methoxyethyl)-5-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1H-indazol-3-amine

C15H27N3O — CID 63049736

IUPACN-(2-methoxyethyl)-5-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1H-indazol-3-amine
SMILESCCC(C)(C)C1CCc2[nH]nc(NCCOC)c2C1
InChIInChI=1S/C15H27N3O/c1-5-15(2,3)11-6-7-13-12(10-11)14(18-17-13)16-8-9-19-4/h11H,5-10H2,1-4H3,(H2,16,17,18)
InChIKeyJZDOEKULZPJIDS-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.01
Rot. Bonds6

About N-(2-methoxyethyl)-5-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1H-indazol-3-amine

N-(2-methoxyethyl)-5-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1H-indazol-3-amine (PubChem CID 63049736) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is N-(2-methoxyethyl)-5-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1H-indazol-3-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-5-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1H-indazol-3-amine
PubChem CID63049736
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC NameN-(2-methoxyethyl)-5-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1H-indazol-3-amine
SMILESCCC(C)(C)C1CCc2[nH]nc(NCCOC)c2C1
InChIInChI=1S/C15H27N3O/c1-5-15(2,3)11-6-7-13-12(10-11)14(18-17-13)16-8-9-19-4/h11H,5-10H2,1-4H3,(H2,16,17,18)
InChIKeyJZDOEKULZPJIDS-UHFFFAOYSA-N
XLogP3.01
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-5-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1H-indazol-3-amine?
The IUPAC name of N-(2-methoxyethyl)-5-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1H-indazol-3-amine (CID 63049736) is N-(2-methoxyethyl)-5-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1H-indazol-3-amine.
What is the SMILES notation for N-(2-methoxyethyl)-5-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1H-indazol-3-amine?
The canonical SMILES for N-(2-methoxyethyl)-5-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1H-indazol-3-amine is CCC(C)(C)C1CCc2[nH]nc(NCCOC)c2C1.
What is the InChIKey of N-(2-methoxyethyl)-5-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1H-indazol-3-amine?
The InChIKey is JZDOEKULZPJIDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-5-15(2,3)11-6-7-13-12(10-11)14(18-17-13)16-8-9-19-4/h11H,5-10H2,1-4H3,(H2,16,17,18).
What are the key properties of N-(2-methoxyethyl)-5-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1H-indazol-3-amine?
N-(2-methoxyethyl)-5-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1H-indazol-3-amine has a molecular weight of 265.40 g/mol, XLogP of 3.01, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-5-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1H-indazol-3-amine is sourced from PubChem (CID 63049736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).