3-(aminomethyl)-1-(1-methylindazol-3-yl)hexan-2-one

C15H21N3O — CID 116574544

IUPAC3-(aminomethyl)-1-(1-methylindazol-3-yl)hexan-2-one
SMILESCCCC(CN)C(=O)Cc1nn(C)c2ccccc12
InChIInChI=1S/C15H21N3O/c1-3-6-11(10-16)15(19)9-13-12-7-4-5-8-14(12)18(2)17-13/h4-5,7-8,11H,3,6,9-10,16H2,1-2H3
InChIKeyZAXDNLKWBYXYEL-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.06
Rot. Bonds6

About 3-(aminomethyl)-1-(1-methylindazol-3-yl)hexan-2-one

3-(aminomethyl)-1-(1-methylindazol-3-yl)hexan-2-one (PubChem CID 116574544) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 3-(aminomethyl)-1-(1-methylindazol-3-yl)hexan-2-one.

Molecular Properties

Compound Name3-(aminomethyl)-1-(1-methylindazol-3-yl)hexan-2-one
PubChem CID116574544
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name3-(aminomethyl)-1-(1-methylindazol-3-yl)hexan-2-one
SMILESCCCC(CN)C(=O)Cc1nn(C)c2ccccc12
InChIInChI=1S/C15H21N3O/c1-3-6-11(10-16)15(19)9-13-12-7-4-5-8-14(12)18(2)17-13/h4-5,7-8,11H,3,6,9-10,16H2,1-2H3
InChIKeyZAXDNLKWBYXYEL-UHFFFAOYSA-N
XLogP2.06
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethoxy-1-(1-methylindazol-3-yl)hexan-2-one
CID 116707739
2-(1-methylindazol-3-yl)acetamide
CID 67465474
3-amino-1-(1-methylindazol-3-yl)hex-5-en-2-one
CID 116606953
3-ethoxy-4-methyl-1-(1-methylindazol-3-yl)pentan-2-one
CID 116708638
7-amino-5-ethyl-1-(1-methylindazol-3-yl)heptan-2-one
CID 116578212
1-amino-3-(1-methylindazol-3-yl)-1-thiophen-2-ylpropan-2-one
CID 116601574
4-methyl-1-(1-methylindazol-3-yl)hexan-2-one
CID 115778384
2-methyl-1-(1-methylindazol-3-yl)pentan-1-one
CID 107891232
(2R)-2-[[2-(1-methylindazol-3-yl)acetyl]amino]propanoic acid
CID 122107924
2-[methyl-[2-(1-methylindazol-3-yl)acetyl]amino]propanoic acid
CID 122107519
3-(aminomethyl)-1-(2-methylphenyl)hexan-2-one
CID 116574564
3-methyl-2-[[2-(1-methylindazol-3-yl)acetyl]amino]butanoic acid
CID 122107082

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-1-(1-methylindazol-3-yl)hexan-2-one?
The IUPAC name of 3-(aminomethyl)-1-(1-methylindazol-3-yl)hexan-2-one (CID 116574544) is 3-(aminomethyl)-1-(1-methylindazol-3-yl)hexan-2-one.
What is the SMILES notation for 3-(aminomethyl)-1-(1-methylindazol-3-yl)hexan-2-one?
The canonical SMILES for 3-(aminomethyl)-1-(1-methylindazol-3-yl)hexan-2-one is CCCC(CN)C(=O)Cc1nn(C)c2ccccc12.
What is the InChIKey of 3-(aminomethyl)-1-(1-methylindazol-3-yl)hexan-2-one?
The InChIKey is ZAXDNLKWBYXYEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-3-6-11(10-16)15(19)9-13-12-7-4-5-8-14(12)18(2)17-13/h4-5,7-8,11H,3,6,9-10,16H2,1-2H3.
What are the key properties of 3-(aminomethyl)-1-(1-methylindazol-3-yl)hexan-2-one?
3-(aminomethyl)-1-(1-methylindazol-3-yl)hexan-2-one has a molecular weight of 259.35 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-1-(1-methylindazol-3-yl)hexan-2-one is sourced from PubChem (CID 116574544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).