2-ethyl-N-(1H-indol-4-ylmethyl)-2-methylsulfanylbutan-1-amine

C16H24N2S — CID 103702107

IUPAC2-ethyl-N-(1H-indol-4-ylmethyl)-2-methylsulfanylbutan-1-amine
SMILESCCC(CC)(CNCc1cccc2[nH]ccc12)SC
InChIInChI=1S/C16H24N2S/c1-4-16(5-2,19-3)12-17-11-13-7-6-8-15-14(13)9-10-18-15/h6-10,17-18H,4-5,11-12H2,1-3H3
InChIKeyHMOFYCQTCGCUGM-UHFFFAOYSA-N
MW276.45 g/mol
LogP4.18
Rot. Bonds7

About 2-ethyl-N-(1H-indol-4-ylmethyl)-2-methylsulfanylbutan-1-amine

2-ethyl-N-(1H-indol-4-ylmethyl)-2-methylsulfanylbutan-1-amine (PubChem CID 103702107) has the molecular formula C16H24N2S and a molecular weight of 276.45 g/mol. Its IUPAC name is 2-ethyl-N-(1H-indol-4-ylmethyl)-2-methylsulfanylbutan-1-amine.

Molecular Properties

Compound Name2-ethyl-N-(1H-indol-4-ylmethyl)-2-methylsulfanylbutan-1-amine
PubChem CID103702107
Molecular FormulaC16H24N2S
Molecular Weight276.45 g/mol
Exact Mass276.17
IUPAC Name2-ethyl-N-(1H-indol-4-ylmethyl)-2-methylsulfanylbutan-1-amine
SMILESCCC(CC)(CNCc1cccc2[nH]ccc12)SC
InChIInChI=1S/C16H24N2S/c1-4-16(5-2,19-3)12-17-11-13-7-6-8-15-14(13)9-10-18-15/h6-10,17-18H,4-5,11-12H2,1-3H3
InChIKeyHMOFYCQTCGCUGM-UHFFFAOYSA-N
XLogP4.18
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.45
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[(2-ethyl-2-methylsulfanylbutyl)amino]methyl]benzene-1,2-diol
CID 113357920
1-(1H-indol-4-ylmethylamino)-2,3-dimethylbutan-2-ol
CID 111118493
N-[(2,3-difluorophenyl)methyl]-2-ethyl-2-methylsulfanylbutan-1-amine
CID 113243609
N-(1H-indol-4-ylmethyl)-2-methylpropan-1-amine
CID 17221020
2-ethyl-N-[(2-fluorophenyl)methyl]-2-methylsulfanylbutan-1-amine
CID 103702098
2-[[(2-ethyl-2-methylsulfanylbutyl)amino]methyl]-6-fluorophenol
CID 103948928
2-(1H-indol-4-ylmethylamino)ethanol
CID 53269747
2-(2,6-dimethylmorpholin-4-yl)-N-(1H-indol-4-ylmethyl)-2-methylpropan-1-amine
CID 119109871
2-ethyl-2-methylsulfanyl-N-[(2-prop-2-enoxyphenyl)methyl]butan-1-amine
CID 103702186
N-[(1-ethylcyclobutyl)methyl]-1-(1H-indol-4-yl)methanamine
CID 113252690
N-[[2-(difluoromethoxy)phenyl]methyl]-2-ethyl-2-methylsulfanylbutan-1-amine
CID 103702078
N-(1H-indol-4-ylmethyl)propanamide
CID 176935116

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(1H-indol-4-ylmethyl)-2-methylsulfanylbutan-1-amine?
The IUPAC name of 2-ethyl-N-(1H-indol-4-ylmethyl)-2-methylsulfanylbutan-1-amine (CID 103702107) is 2-ethyl-N-(1H-indol-4-ylmethyl)-2-methylsulfanylbutan-1-amine.
What is the SMILES notation for 2-ethyl-N-(1H-indol-4-ylmethyl)-2-methylsulfanylbutan-1-amine?
The canonical SMILES for 2-ethyl-N-(1H-indol-4-ylmethyl)-2-methylsulfanylbutan-1-amine is CCC(CC)(CNCc1cccc2[nH]ccc12)SC.
What is the InChIKey of 2-ethyl-N-(1H-indol-4-ylmethyl)-2-methylsulfanylbutan-1-amine?
The InChIKey is HMOFYCQTCGCUGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2S/c1-4-16(5-2,19-3)12-17-11-13-7-6-8-15-14(13)9-10-18-15/h6-10,17-18H,4-5,11-12H2,1-3H3.
What are the key properties of 2-ethyl-N-(1H-indol-4-ylmethyl)-2-methylsulfanylbutan-1-amine?
2-ethyl-N-(1H-indol-4-ylmethyl)-2-methylsulfanylbutan-1-amine has a molecular weight of 276.45 g/mol, XLogP of 4.18, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(1H-indol-4-ylmethyl)-2-methylsulfanylbutan-1-amine is sourced from PubChem (CID 103702107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).