3-[5-(aminomethyl)indol-1-yl]-N,N-dimethylpropanamide

C14H19N3O — CID 102915506

IUPAC3-[5-(aminomethyl)indol-1-yl]-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCn1ccc2cc(CN)ccc21
InChIInChI=1S/C14H19N3O/c1-16(2)14(18)6-8-17-7-5-12-9-11(10-15)3-4-13(12)17/h3-5,7,9H,6,8,10,15H2,1-2H3
InChIKeyBYETYMXFCCPROF-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.58
Rot. Bonds4

About 3-[5-(aminomethyl)indol-1-yl]-N,N-dimethylpropanamide

3-[5-(aminomethyl)indol-1-yl]-N,N-dimethylpropanamide (PubChem CID 102915506) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 3-[5-(aminomethyl)indol-1-yl]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-[5-(aminomethyl)indol-1-yl]-N,N-dimethylpropanamide
PubChem CID102915506
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name3-[5-(aminomethyl)indol-1-yl]-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCn1ccc2cc(CN)ccc21
InChIInChI=1S/C14H19N3O/c1-16(2)14(18)6-8-17-7-5-12-9-11(10-15)3-4-13(12)17/h3-5,7,9H,6,8,10,15H2,1-2H3
InChIKeyBYETYMXFCCPROF-UHFFFAOYSA-N
XLogP1.58
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(aminomethyl)indol-1-yl]-N,N-dimethylpropanamide?
The IUPAC name of 3-[5-(aminomethyl)indol-1-yl]-N,N-dimethylpropanamide (CID 102915506) is 3-[5-(aminomethyl)indol-1-yl]-N,N-dimethylpropanamide.
What is the SMILES notation for 3-[5-(aminomethyl)indol-1-yl]-N,N-dimethylpropanamide?
The canonical SMILES for 3-[5-(aminomethyl)indol-1-yl]-N,N-dimethylpropanamide is CN(C)C(=O)CCn1ccc2cc(CN)ccc21.
What is the InChIKey of 3-[5-(aminomethyl)indol-1-yl]-N,N-dimethylpropanamide?
The InChIKey is BYETYMXFCCPROF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-16(2)14(18)6-8-17-7-5-12-9-11(10-15)3-4-13(12)17/h3-5,7,9H,6,8,10,15H2,1-2H3.
What are the key properties of 3-[5-(aminomethyl)indol-1-yl]-N,N-dimethylpropanamide?
3-[5-(aminomethyl)indol-1-yl]-N,N-dimethylpropanamide has a molecular weight of 245.33 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(aminomethyl)indol-1-yl]-N,N-dimethylpropanamide is sourced from PubChem (CID 102915506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).