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

C13H23N3O — CID 63048671

IUPACN-(2-methoxyethyl)-5-propyl-4,5,6,7-tetrahydro-1H-indazol-3-amine
SMILESCCCC1CCc2[nH]nc(NCCOC)c2C1
InChIInChI=1S/C13H23N3O/c1-3-4-10-5-6-12-11(9-10)13(16-15-12)14-7-8-17-2/h10H,3-9H2,1-2H3,(H2,14,15,16)
InChIKeyVPAGCQRFHIVOMV-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.37
Rot. Bonds6

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

N-(2-methoxyethyl)-5-propyl-4,5,6,7-tetrahydro-1H-indazol-3-amine (PubChem CID 63048671) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is N-(2-methoxyethyl)-5-propyl-4,5,6,7-tetrahydro-1H-indazol-3-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-5-propyl-4,5,6,7-tetrahydro-1H-indazol-3-amine
PubChem CID63048671
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC NameN-(2-methoxyethyl)-5-propyl-4,5,6,7-tetrahydro-1H-indazol-3-amine
SMILESCCCC1CCc2[nH]nc(NCCOC)c2C1
InChIInChI=1S/C13H23N3O/c1-3-4-10-5-6-12-11(9-10)13(16-15-12)14-7-8-17-2/h10H,3-9H2,1-2H3,(H2,14,15,16)
InChIKeyVPAGCQRFHIVOMV-UHFFFAOYSA-N
XLogP2.37
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.37
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-propyl-4,5,6,7-tetrahydro-1H-indazol-3-amine?
The IUPAC name of N-(2-methoxyethyl)-5-propyl-4,5,6,7-tetrahydro-1H-indazol-3-amine (CID 63048671) is N-(2-methoxyethyl)-5-propyl-4,5,6,7-tetrahydro-1H-indazol-3-amine.
What is the SMILES notation for N-(2-methoxyethyl)-5-propyl-4,5,6,7-tetrahydro-1H-indazol-3-amine?
The canonical SMILES for N-(2-methoxyethyl)-5-propyl-4,5,6,7-tetrahydro-1H-indazol-3-amine is CCCC1CCc2[nH]nc(NCCOC)c2C1.
What is the InChIKey of N-(2-methoxyethyl)-5-propyl-4,5,6,7-tetrahydro-1H-indazol-3-amine?
The InChIKey is VPAGCQRFHIVOMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-3-4-10-5-6-12-11(9-10)13(16-15-12)14-7-8-17-2/h10H,3-9H2,1-2H3,(H2,14,15,16).
What are the key properties of N-(2-methoxyethyl)-5-propyl-4,5,6,7-tetrahydro-1H-indazol-3-amine?
N-(2-methoxyethyl)-5-propyl-4,5,6,7-tetrahydro-1H-indazol-3-amine has a molecular weight of 237.35 g/mol, XLogP of 2.37, 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-propyl-4,5,6,7-tetrahydro-1H-indazol-3-amine is sourced from PubChem (CID 63048671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).