5-[(1,3-dimethylindol-2-yl)methylamino]pentanamide

C16H23N3O — CID 106233704

IUPAC5-[(1,3-dimethylindol-2-yl)methylamino]pentanamide
SMILESCc1c(CNCCCCC(N)=O)n(C)c2ccccc12
InChIInChI=1S/C16H23N3O/c1-12-13-7-3-4-8-14(13)19(2)15(12)11-18-10-6-5-9-16(17)20/h3-4,7-8,18H,5-6,9-11H2,1-2H3,(H2,17,20)
InChIKeyVBIOIXDWHMNXSO-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.23
Rot. Bonds7

About 5-[(1,3-dimethylindol-2-yl)methylamino]pentanamide

5-[(1,3-dimethylindol-2-yl)methylamino]pentanamide (PubChem CID 106233704) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 5-[(1,3-dimethylindol-2-yl)methylamino]pentanamide.

Molecular Properties

Compound Name5-[(1,3-dimethylindol-2-yl)methylamino]pentanamide
PubChem CID106233704
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name5-[(1,3-dimethylindol-2-yl)methylamino]pentanamide
SMILESCc1c(CNCCCCC(N)=O)n(C)c2ccccc12
InChIInChI=1S/C16H23N3O/c1-12-13-7-3-4-8-14(13)19(2)15(12)11-18-10-6-5-9-16(17)20/h3-4,7-8,18H,5-6,9-11H2,1-2H3,(H2,17,20)
InChIKeyVBIOIXDWHMNXSO-UHFFFAOYSA-N
XLogP2.23
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(1,3-dimethylindol-2-yl)methyl]-3-methylsulfinylpropan-1-amine
CID 107236223
3-[(1,3-dimethylindol-2-yl)methylamino]-N-propylpropanamide
CID 107235570
N-[(1,3-dimethylindol-2-yl)methyl]-4-methylpentan-1-amine
CID 107235433
5-[(1-methylindol-3-yl)methylamino]pentanamide
CID 106233935
3-[(1,3-dimethylindol-2-yl)methylamino]-3-methylbutanamide
CID 106095875
3-butoxy-N-[(1,3-dimethylindol-2-yl)methyl]propan-1-amine
CID 107236210
tert-butyl N-[2-[(1,3-dimethylindol-2-yl)methylamino]ethyl]carbamate
CID 107241393
N-[(1,3-dimethylindol-2-yl)methyl]-3-ethenoxypropan-1-amine
CID 107234807
N-[(1,3-dimethylindol-2-yl)methyl]-1-phenylmethanamine
CID 107234543
1-(2-chlorophenyl)-N-[(1,3-dimethylindol-2-yl)methyl]methanamine
CID 107234583
2-[(1,3-dimethylindol-2-yl)methylamino]propane-1,3-diol
CID 107235824
3-[[(1,3-dimethylindol-2-yl)methylamino]methyl]pentan-3-ol
CID 107235809

Frequently Asked Questions

What is the IUPAC name of 5-[(1,3-dimethylindol-2-yl)methylamino]pentanamide?
The IUPAC name of 5-[(1,3-dimethylindol-2-yl)methylamino]pentanamide (CID 106233704) is 5-[(1,3-dimethylindol-2-yl)methylamino]pentanamide.
What is the SMILES notation for 5-[(1,3-dimethylindol-2-yl)methylamino]pentanamide?
The canonical SMILES for 5-[(1,3-dimethylindol-2-yl)methylamino]pentanamide is Cc1c(CNCCCCC(N)=O)n(C)c2ccccc12.
What is the InChIKey of 5-[(1,3-dimethylindol-2-yl)methylamino]pentanamide?
The InChIKey is VBIOIXDWHMNXSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-12-13-7-3-4-8-14(13)19(2)15(12)11-18-10-6-5-9-16(17)20/h3-4,7-8,18H,5-6,9-11H2,1-2H3,(H2,17,20).
What are the key properties of 5-[(1,3-dimethylindol-2-yl)methylamino]pentanamide?
5-[(1,3-dimethylindol-2-yl)methylamino]pentanamide has a molecular weight of 273.38 g/mol, XLogP of 2.23, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1,3-dimethylindol-2-yl)methylamino]pentanamide is sourced from PubChem (CID 106233704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).