5-[(1-ethylindazol-3-yl)methylamino]-2-methylpentan-1-ol

C16H25N3O — CID 104879529

IUPAC5-[(1-ethylindazol-3-yl)methylamino]-2-methylpentan-1-ol
SMILESCCn1nc(CNCCCC(C)CO)c2ccccc21
InChIInChI=1S/C16H25N3O/c1-3-19-16-9-5-4-8-14(16)15(18-19)11-17-10-6-7-13(2)12-20/h4-5,8-9,13,17,20H,3,6-7,10-12H2,1-2H3
InChIKeyDOOXQHQFEBPRER-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.55
Rot. Bonds8

About 5-[(1-ethylindazol-3-yl)methylamino]-2-methylpentan-1-ol

5-[(1-ethylindazol-3-yl)methylamino]-2-methylpentan-1-ol (PubChem CID 104879529) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 5-[(1-ethylindazol-3-yl)methylamino]-2-methylpentan-1-ol.

Molecular Properties

Compound Name5-[(1-ethylindazol-3-yl)methylamino]-2-methylpentan-1-ol
PubChem CID104879529
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name5-[(1-ethylindazol-3-yl)methylamino]-2-methylpentan-1-ol
SMILESCCn1nc(CNCCCC(C)CO)c2ccccc21
InChIInChI=1S/C16H25N3O/c1-3-19-16-9-5-4-8-14(16)15(18-19)11-17-10-6-7-13(2)12-20/h4-5,8-9,13,17,20H,3,6-7,10-12H2,1-2H3
InChIKeyDOOXQHQFEBPRER-UHFFFAOYSA-N
XLogP2.55
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 5-[(1-ethylindazol-3-yl)methylamino]-2-methylpentan-1-ol?
The IUPAC name of 5-[(1-ethylindazol-3-yl)methylamino]-2-methylpentan-1-ol (CID 104879529) is 5-[(1-ethylindazol-3-yl)methylamino]-2-methylpentan-1-ol.
What is the SMILES notation for 5-[(1-ethylindazol-3-yl)methylamino]-2-methylpentan-1-ol?
The canonical SMILES for 5-[(1-ethylindazol-3-yl)methylamino]-2-methylpentan-1-ol is CCn1nc(CNCCCC(C)CO)c2ccccc21.
What is the InChIKey of 5-[(1-ethylindazol-3-yl)methylamino]-2-methylpentan-1-ol?
The InChIKey is DOOXQHQFEBPRER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-3-19-16-9-5-4-8-14(16)15(18-19)11-17-10-6-7-13(2)12-20/h4-5,8-9,13,17,20H,3,6-7,10-12H2,1-2H3.
What are the key properties of 5-[(1-ethylindazol-3-yl)methylamino]-2-methylpentan-1-ol?
5-[(1-ethylindazol-3-yl)methylamino]-2-methylpentan-1-ol has a molecular weight of 275.40 g/mol, XLogP of 2.55, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-ethylindazol-3-yl)methylamino]-2-methylpentan-1-ol is sourced from PubChem (CID 104879529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).