N-ethyl-2-(1-methyl-5-propan-2-ylindol-3-yl)ethanamine

C16H24N2 — CID 96674946

IUPACN-ethyl-2-(1-methyl-5-propan-2-ylindol-3-yl)ethanamine
SMILESCCNCCc1cn(C)c2ccc(C(C)C)cc12
InChIInChI=1S/C16H24N2/c1-5-17-9-8-14-11-18(4)16-7-6-13(12(2)3)10-15(14)16/h6-7,10-12,17H,5,8-9H2,1-4H3
InChIKeyJVKZNYNVWYTAMC-UHFFFAOYSA-N
MW244.38 g/mol
LogP3.45
Rot. Bonds5

About N-ethyl-2-(1-methyl-5-propan-2-ylindol-3-yl)ethanamine

N-ethyl-2-(1-methyl-5-propan-2-ylindol-3-yl)ethanamine (PubChem CID 96674946) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is N-ethyl-2-(1-methyl-5-propan-2-ylindol-3-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-(1-methyl-5-propan-2-ylindol-3-yl)ethanamine
PubChem CID96674946
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC NameN-ethyl-2-(1-methyl-5-propan-2-ylindol-3-yl)ethanamine
SMILESCCNCCc1cn(C)c2ccc(C(C)C)cc12
InChIInChI=1S/C16H24N2/c1-5-17-9-8-14-11-18(4)16-7-6-13(12(2)3)10-15(14)16/h6-7,10-12,17H,5,8-9H2,1-4H3
InChIKeyJVKZNYNVWYTAMC-UHFFFAOYSA-N
XLogP3.45
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-[2-(1-methyl-5-propan-2-ylindol-3-yl)ethyl]propan-2-amine
CID 96679765
N-methyl-3-(1-methyl-5-propan-2-ylindol-3-yl)propan-1-amine
CID 96674945
N-[2-(1-methyl-5-propan-2-ylindol-3-yl)ethyl]cyclopropanamine
CID 96676952
N-ethyl-2-(5-methoxy-1-methylindol-3-yl)ethanamine
CID 96673433
(1-methyl-5-propan-2-ylindol-3-yl)methanamine
CID 82491626
N-ethyl-2-(6-fluoro-1-methylindol-3-yl)ethanamine
CID 82494111
N-ethyl-N'-[2-(2-methyl-5-propan-2-ylphenyl)ethyl]ethane-1,2-diamine
CID 115206022
1-(1-methyl-5-propan-2-ylindol-3-yl)propan-1-amine
CID 82278918
3-(1,5-dimethylindol-3-yl)-N-propan-2-ylpropan-1-amine
CID 96674926
5-bromo-1-methyl-3-[(4-propan-2-ylphenyl)methyl]indole
CID 26367659
N-ethyl-2-(7-fluoro-1-methylindol-3-yl)ethanamine
CID 82494098
N-[[5-(aminomethyl)-1-methylindol-3-yl]methyl]ethanamine
CID 117174929

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(1-methyl-5-propan-2-ylindol-3-yl)ethanamine?
The IUPAC name of N-ethyl-2-(1-methyl-5-propan-2-ylindol-3-yl)ethanamine (CID 96674946) is N-ethyl-2-(1-methyl-5-propan-2-ylindol-3-yl)ethanamine.
What is the SMILES notation for N-ethyl-2-(1-methyl-5-propan-2-ylindol-3-yl)ethanamine?
The canonical SMILES for N-ethyl-2-(1-methyl-5-propan-2-ylindol-3-yl)ethanamine is CCNCCc1cn(C)c2ccc(C(C)C)cc12.
What is the InChIKey of N-ethyl-2-(1-methyl-5-propan-2-ylindol-3-yl)ethanamine?
The InChIKey is JVKZNYNVWYTAMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-5-17-9-8-14-11-18(4)16-7-6-13(12(2)3)10-15(14)16/h6-7,10-12,17H,5,8-9H2,1-4H3.
What are the key properties of N-ethyl-2-(1-methyl-5-propan-2-ylindol-3-yl)ethanamine?
N-ethyl-2-(1-methyl-5-propan-2-ylindol-3-yl)ethanamine has a molecular weight of 244.38 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(1-methyl-5-propan-2-ylindol-3-yl)ethanamine is sourced from PubChem (CID 96674946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).