3-[6-(ethylaminomethyl)indol-1-yl]-N,N-dimethylpropan-1-amine

C16H25N3 — CID 102916680

IUPAC3-[6-(ethylaminomethyl)indol-1-yl]-N,N-dimethylpropan-1-amine
SMILESCCNCc1ccc2ccn(CCCN(C)C)c2c1
InChIInChI=1S/C16H25N3/c1-4-17-13-14-6-7-15-8-11-19(16(15)12-14)10-5-9-18(2)3/h6-8,11-12,17H,4-5,9-10,13H2,1-3H3
InChIKeyYRJXIVVYCDDDQF-UHFFFAOYSA-N
MW259.40 g/mol
LogP2.70
Rot. Bonds7

About 3-[6-(ethylaminomethyl)indol-1-yl]-N,N-dimethylpropan-1-amine

3-[6-(ethylaminomethyl)indol-1-yl]-N,N-dimethylpropan-1-amine (PubChem CID 102916680) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is 3-[6-(ethylaminomethyl)indol-1-yl]-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-[6-(ethylaminomethyl)indol-1-yl]-N,N-dimethylpropan-1-amine
PubChem CID102916680
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC Name3-[6-(ethylaminomethyl)indol-1-yl]-N,N-dimethylpropan-1-amine
SMILESCCNCc1ccc2ccn(CCCN(C)C)c2c1
InChIInChI=1S/C16H25N3/c1-4-17-13-14-6-7-15-8-11-19(16(15)12-14)10-5-9-18(2)3/h6-8,11-12,17H,4-5,9-10,13H2,1-3H3
InChIKeyYRJXIVVYCDDDQF-UHFFFAOYSA-N
XLogP2.70
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-pent-3-ynylindol-6-yl)methyl]ethanamine
CID 104811742
N-[[1-(2-imidazol-1-ylethyl)indol-6-yl]methyl]ethanamine
CID 102916703
3-[5-(ethylaminomethyl)indol-1-yl]propan-1-ol
CID 102915831
1-[3-(dimethylamino)propyl]indole-6-carbaldehyde
CID 102911050
N-[[1-[3-(oxolan-2-yl)propyl]indol-6-yl]methyl]ethanamine
CID 65165636
2-methyl-N-[[1-(4-methylpentyl)indol-6-yl]methyl]propan-1-amine
CID 83149656
2-[5-(ethylaminomethyl)indol-1-yl]ethanol
CID 102915827
N-butyl-2-[6-(ethylaminomethyl)indol-1-yl]acetamide
CID 102916722
3-[5-(ethylaminomethyl)-1,3-dihydroisoindol-2-yl]-N,N-dimethylpropan-1-amine
CID 82163833
N-tert-butyl-2-[6-(ethylaminomethyl)indol-1-yl]acetamide
CID 102916733
2-[6-(methylaminomethyl)indol-1-yl]ethanol
CID 102916522
2-[6-(ethylaminomethyl)indol-1-yl]-1-pyrrolidin-1-ylethanone
CID 102916734

Frequently Asked Questions

What is the IUPAC name of 3-[6-(ethylaminomethyl)indol-1-yl]-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-[6-(ethylaminomethyl)indol-1-yl]-N,N-dimethylpropan-1-amine (CID 102916680) is 3-[6-(ethylaminomethyl)indol-1-yl]-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-[6-(ethylaminomethyl)indol-1-yl]-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-[6-(ethylaminomethyl)indol-1-yl]-N,N-dimethylpropan-1-amine is CCNCc1ccc2ccn(CCCN(C)C)c2c1.
What is the InChIKey of 3-[6-(ethylaminomethyl)indol-1-yl]-N,N-dimethylpropan-1-amine?
The InChIKey is YRJXIVVYCDDDQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-4-17-13-14-6-7-15-8-11-19(16(15)12-14)10-5-9-18(2)3/h6-8,11-12,17H,4-5,9-10,13H2,1-3H3.
What are the key properties of 3-[6-(ethylaminomethyl)indol-1-yl]-N,N-dimethylpropan-1-amine?
3-[6-(ethylaminomethyl)indol-1-yl]-N,N-dimethylpropan-1-amine has a molecular weight of 259.40 g/mol, XLogP of 2.70, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(ethylaminomethyl)indol-1-yl]-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 102916680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).