2-[7-(aminomethyl)indol-1-yl]-N-propan-2-ylacetamide

C14H19N3O — CID 102913711

IUPAC2-[7-(aminomethyl)indol-1-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cn1ccc2cccc(CN)c21
InChIInChI=1S/C14H19N3O/c1-10(2)16-13(18)9-17-7-6-11-4-3-5-12(8-15)14(11)17/h3-7,10H,8-9,15H2,1-2H3,(H,16,18)
InChIKeyXHVRDCLYKPQVLM-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.62
Rot. Bonds4

About 2-[7-(aminomethyl)indol-1-yl]-N-propan-2-ylacetamide

2-[7-(aminomethyl)indol-1-yl]-N-propan-2-ylacetamide (PubChem CID 102913711) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-[7-(aminomethyl)indol-1-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[7-(aminomethyl)indol-1-yl]-N-propan-2-ylacetamide
PubChem CID102913711
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name2-[7-(aminomethyl)indol-1-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cn1ccc2cccc(CN)c21
InChIInChI=1S/C14H19N3O/c1-10(2)16-13(18)9-17-7-6-11-4-3-5-12(8-15)14(11)17/h3-7,10H,8-9,15H2,1-2H3,(H,16,18)
InChIKeyXHVRDCLYKPQVLM-UHFFFAOYSA-N
XLogP1.62
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[7-(aminomethyl)indol-1-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[7-(aminomethyl)indol-1-yl]-N-propan-2-ylacetamide (CID 102913711) is 2-[7-(aminomethyl)indol-1-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[7-(aminomethyl)indol-1-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[7-(aminomethyl)indol-1-yl]-N-propan-2-ylacetamide is CC(C)NC(=O)Cn1ccc2cccc(CN)c21.
What is the InChIKey of 2-[7-(aminomethyl)indol-1-yl]-N-propan-2-ylacetamide?
The InChIKey is XHVRDCLYKPQVLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-10(2)16-13(18)9-17-7-6-11-4-3-5-12(8-15)14(11)17/h3-7,10H,8-9,15H2,1-2H3,(H,16,18).
What are the key properties of 2-[7-(aminomethyl)indol-1-yl]-N-propan-2-ylacetamide?
2-[7-(aminomethyl)indol-1-yl]-N-propan-2-ylacetamide has a molecular weight of 245.33 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(aminomethyl)indol-1-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 102913711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).