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

C16H25N3 — CID 71025575

IUPAC3-[3-(ethylaminomethyl)indol-1-yl]-N,N-dimethylpropan-1-amine
SMILESCCNCc1cn(CCCN(C)C)c2ccccc12
InChIInChI=1S/C16H25N3/c1-4-17-12-14-13-19(11-7-10-18(2)3)16-9-6-5-8-15(14)16/h5-6,8-9,13,17H,4,7,10-12H2,1-3H3
InChIKeyNNCSVZHATWHHDB-UHFFFAOYSA-N
MW259.40 g/mol
LogP2.70
Rot. Bonds7

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

3-[3-(ethylaminomethyl)indol-1-yl]-N,N-dimethylpropan-1-amine (PubChem CID 71025575) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is 3-[3-(ethylaminomethyl)indol-1-yl]-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-[3-(ethylaminomethyl)indol-1-yl]-N,N-dimethylpropan-1-amine
PubChem CID71025575
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC Name3-[3-(ethylaminomethyl)indol-1-yl]-N,N-dimethylpropan-1-amine
SMILESCCNCc1cn(CCCN(C)C)c2ccccc12
InChIInChI=1S/C16H25N3/c1-4-17-12-14-13-19(11-7-10-18(2)3)16-9-6-5-8-15(14)16/h5-6,8-9,13,17H,4,7,10-12H2,1-3H3
InChIKeyNNCSVZHATWHHDB-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

2-[3-(ethylaminomethyl)indol-1-yl]-N,N-dimethylethanamine
CID 66409955
N-[[1-[3-(dimethylamino)propyl]indol-3-yl]methyl]dodecan-1-amine
CID 71546960
3-[3-[(2-methoxyethylamino)methyl]indol-1-yl]-N,N-dimethylpropan-1-amine
CID 114526179
2-[3-(ethylaminomethyl)indol-1-yl]ethanol
CID 66409741
N,N-dimethyl-3-[3-[(2-pyrrolidin-1-ylethylamino)methyl]indol-1-yl]propan-1-amine
CID 71546964
N,N-dimethyl-3-(1-octylindol-3-yl)propan-1-amine
CID 70686044
4-[1-[3-(dimethylamino)propyl]indol-3-yl]butanoic acid
CID 114525705
2-[3-[3-(dimethylamino)propyl]indol-1-yl]ethanol
CID 170866980
N,N-diethyl-2-[3-(ethylaminomethyl)indol-1-yl]acetamide
CID 66409526
N-[[1-[2-(dimethylamino)ethyl]indol-3-yl]methyl]propan-2-amine
CID 66401921
1-[3-(dimethylamino)propyl]indol-3-amine
CID 70997307
5-[3-(propylaminomethyl)indol-1-yl]pentan-1-ol
CID 66408211

Frequently Asked Questions

What is the IUPAC name of 3-[3-(ethylaminomethyl)indol-1-yl]-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-[3-(ethylaminomethyl)indol-1-yl]-N,N-dimethylpropan-1-amine (CID 71025575) is 3-[3-(ethylaminomethyl)indol-1-yl]-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-[3-(ethylaminomethyl)indol-1-yl]-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-[3-(ethylaminomethyl)indol-1-yl]-N,N-dimethylpropan-1-amine is CCNCc1cn(CCCN(C)C)c2ccccc12.
What is the InChIKey of 3-[3-(ethylaminomethyl)indol-1-yl]-N,N-dimethylpropan-1-amine?
The InChIKey is NNCSVZHATWHHDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-4-17-12-14-13-19(11-7-10-18(2)3)16-9-6-5-8-15(14)16/h5-6,8-9,13,17H,4,7,10-12H2,1-3H3.
What are the key properties of 3-[3-(ethylaminomethyl)indol-1-yl]-N,N-dimethylpropan-1-amine?
3-[3-(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-[3-(ethylaminomethyl)indol-1-yl]-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 71025575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).