6-amino-1-(1-ethylindazol-3-yl)hexan-2-one

C15H21N3O — CID 116572138

IUPAC6-amino-1-(1-ethylindazol-3-yl)hexan-2-one
SMILESCCn1nc(CC(=O)CCCCN)c2ccccc21
InChIInChI=1S/C15H21N3O/c1-2-18-15-9-4-3-8-13(15)14(17-18)11-12(19)7-5-6-10-16/h3-4,8-9H,2,5-7,10-11,16H2,1H3
InChIKeySMNHKMHYCASCKI-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.30
Rot. Bonds7

About 6-amino-1-(1-ethylindazol-3-yl)hexan-2-one

6-amino-1-(1-ethylindazol-3-yl)hexan-2-one (PubChem CID 116572138) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 6-amino-1-(1-ethylindazol-3-yl)hexan-2-one.

Molecular Properties

Compound Name6-amino-1-(1-ethylindazol-3-yl)hexan-2-one
PubChem CID116572138
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name6-amino-1-(1-ethylindazol-3-yl)hexan-2-one
SMILESCCn1nc(CC(=O)CCCCN)c2ccccc21
InChIInChI=1S/C15H21N3O/c1-2-18-15-9-4-3-8-13(15)14(17-18)11-12(19)7-5-6-10-16/h3-4,8-9H,2,5-7,10-11,16H2,1H3
InChIKeySMNHKMHYCASCKI-UHFFFAOYSA-N
XLogP2.30
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

7-amino-1-(1-ethylindazol-3-yl)heptan-2-one
CID 116550158
6-amino-1-(1-ethylindazol-3-yl)-3-methylhexan-2-one
CID 116613650
4-amino-1-(1-ethylindazol-3-yl)-4-methylpentan-2-one
CID 116581243
1-(1-ethylindazol-3-yl)-4-methylhexan-2-one
CID 114981110
4-amino-1-(1-ethylindazol-3-yl)heptan-2-one
CID 116608024
1-cyclopentyl-3-(1-ethylindazol-3-yl)propan-2-one
CID 114981052
1-(cyclopentylamino)-3-(1-ethylindazol-3-yl)propan-2-one
CID 116559188
1-(1-ethylindazol-3-yl)-3-piperidin-4-ylpropan-2-one
CID 116560043
1-(1-ethylindazol-3-yl)-3-(oxolan-3-yl)propan-2-one
CID 103986229
5-amino-1-(1-ethylindazol-3-yl)-2-(methoxymethyl)pentan-2-ol
CID 103391529
2-(1-ethylindazol-3-yl)-1-(1-methylcyclohexyl)ethanone
CID 106829628
2-(aminomethyl)-2-[(1-ethylindazol-3-yl)methyl]butanoic acid
CID 106487389

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-(1-ethylindazol-3-yl)hexan-2-one?
The IUPAC name of 6-amino-1-(1-ethylindazol-3-yl)hexan-2-one (CID 116572138) is 6-amino-1-(1-ethylindazol-3-yl)hexan-2-one.
What is the SMILES notation for 6-amino-1-(1-ethylindazol-3-yl)hexan-2-one?
The canonical SMILES for 6-amino-1-(1-ethylindazol-3-yl)hexan-2-one is CCn1nc(CC(=O)CCCCN)c2ccccc21.
What is the InChIKey of 6-amino-1-(1-ethylindazol-3-yl)hexan-2-one?
The InChIKey is SMNHKMHYCASCKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-2-18-15-9-4-3-8-13(15)14(17-18)11-12(19)7-5-6-10-16/h3-4,8-9H,2,5-7,10-11,16H2,1H3.
What are the key properties of 6-amino-1-(1-ethylindazol-3-yl)hexan-2-one?
6-amino-1-(1-ethylindazol-3-yl)hexan-2-one has a molecular weight of 259.35 g/mol, XLogP of 2.30, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-(1-ethylindazol-3-yl)hexan-2-one is sourced from PubChem (CID 116572138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).