3-[5-[(2-methylpropylamino)methyl]indol-1-yl]propanamide

C16H23N3O — CID 102916282

IUPAC3-[5-[(2-methylpropylamino)methyl]indol-1-yl]propanamide
SMILESCC(C)CNCc1ccc2c(ccn2CCC(N)=O)c1
InChIInChI=1S/C16H23N3O/c1-12(2)10-18-11-13-3-4-15-14(9-13)5-7-19(15)8-6-16(17)20/h3-5,7,9,12,18H,6,8,10-11H2,1-2H3,(H2,17,20)
InChIKeyDLQHCNBECJURKM-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.26
Rot. Bonds7

About 3-[5-[(2-methylpropylamino)methyl]indol-1-yl]propanamide

3-[5-[(2-methylpropylamino)methyl]indol-1-yl]propanamide (PubChem CID 102916282) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 3-[5-[(2-methylpropylamino)methyl]indol-1-yl]propanamide.

Molecular Properties

Compound Name3-[5-[(2-methylpropylamino)methyl]indol-1-yl]propanamide
PubChem CID102916282
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name3-[5-[(2-methylpropylamino)methyl]indol-1-yl]propanamide
SMILESCC(C)CNCc1ccc2c(ccn2CCC(N)=O)c1
InChIInChI=1S/C16H23N3O/c1-12(2)10-18-11-13-3-4-15-14(9-13)5-7-19(15)8-6-16(17)20/h3-5,7,9,12,18H,6,8,10-11H2,1-2H3,(H2,17,20)
InChIKeyDLQHCNBECJURKM-UHFFFAOYSA-N
XLogP2.26
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 ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-3-[5-[(2-methylpropylamino)methyl]indol-1-yl]propan-1-ol
CID 102916325
2-methyl-N-[[1-(2-methylprop-2-enyl)indol-5-yl]methyl]propan-1-amine
CID 79186203
3-(5-methoxyindol-1-yl)propanamide
CID 116619447
N,N-dimethyl-3-[5-(propylaminomethyl)indol-1-yl]propanamide
CID 102915998
2-methyl-N-[[1-(4-methylpentyl)indol-6-yl]methyl]propan-1-amine
CID 83149656
2-[5-(ethylaminomethyl)indol-1-yl]ethanol
CID 102915827
1-[1-(3-methylbutyl)indol-5-yl]propan-2-amine
CID 102917538
1-[6-[(2-methylpropylamino)methyl]indol-1-yl]propan-2-ol
CID 102917013
3-[5-(ethylaminomethyl)indol-1-yl]propan-1-ol
CID 102915831
3-[5-[(cyclopropylamino)methyl]indol-1-yl]-N-ethylpropanamide
CID 102916239
2-methyl-N-[2-(5-methylindol-1-yl)ethyl]propan-1-amine
CID 63556206
N-[[1-(2-ethylsulfanylethyl)indol-5-yl]methyl]ethanamine
CID 113474442

Frequently Asked Questions

What is the IUPAC name of 3-[5-[(2-methylpropylamino)methyl]indol-1-yl]propanamide?
The IUPAC name of 3-[5-[(2-methylpropylamino)methyl]indol-1-yl]propanamide (CID 102916282) is 3-[5-[(2-methylpropylamino)methyl]indol-1-yl]propanamide.
What is the SMILES notation for 3-[5-[(2-methylpropylamino)methyl]indol-1-yl]propanamide?
The canonical SMILES for 3-[5-[(2-methylpropylamino)methyl]indol-1-yl]propanamide is CC(C)CNCc1ccc2c(ccn2CCC(N)=O)c1.
What is the InChIKey of 3-[5-[(2-methylpropylamino)methyl]indol-1-yl]propanamide?
The InChIKey is DLQHCNBECJURKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-12(2)10-18-11-13-3-4-15-14(9-13)5-7-19(15)8-6-16(17)20/h3-5,7,9,12,18H,6,8,10-11H2,1-2H3,(H2,17,20).
What are the key properties of 3-[5-[(2-methylpropylamino)methyl]indol-1-yl]propanamide?
3-[5-[(2-methylpropylamino)methyl]indol-1-yl]propanamide has a molecular weight of 273.38 g/mol, XLogP of 2.26, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[(2-methylpropylamino)methyl]indol-1-yl]propanamide is sourced from PubChem (CID 102916282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).