1-[1-(2-ethylbutyl)indol-7-yl]butan-2-amine

C18H28N2 — CID 102917351

IUPAC1-[1-(2-ethylbutyl)indol-7-yl]butan-2-amine
SMILESCCC(N)Cc1cccc2ccn(CC(CC)CC)c12
InChIInChI=1S/C18H28N2/c1-4-14(5-2)13-20-11-10-15-8-7-9-16(18(15)20)12-17(19)6-3/h7-11,14,17H,4-6,12-13,19H2,1-3H3
InChIKeyLQPQCLOVPASDCK-UHFFFAOYSA-N
MW272.44 g/mol
LogP4.36
Rot. Bonds7

About 1-[1-(2-ethylbutyl)indol-7-yl]butan-2-amine

1-[1-(2-ethylbutyl)indol-7-yl]butan-2-amine (PubChem CID 102917351) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is 1-[1-(2-ethylbutyl)indol-7-yl]butan-2-amine.

Molecular Properties

Compound Name1-[1-(2-ethylbutyl)indol-7-yl]butan-2-amine
PubChem CID102917351
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC Name1-[1-(2-ethylbutyl)indol-7-yl]butan-2-amine
SMILESCCC(N)Cc1cccc2ccn(CC(CC)CC)c12
InChIInChI=1S/C18H28N2/c1-4-14(5-2)13-20-11-10-15-8-7-9-16(18(15)20)12-17(19)6-3/h7-11,14,17H,4-6,12-13,19H2,1-3H3
InChIKeyLQPQCLOVPASDCK-UHFFFAOYSA-N
XLogP4.36
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(4-methylpentyl)indol-7-yl]butan-2-amine
CID 102917352
4-[7-(2-aminobutyl)indol-1-yl]butanenitrile
CID 102917322
1-[1-(1,3-thiazol-2-ylmethyl)indol-7-yl]butan-2-amine
CID 102917327
1-[1-(2-methylpentyl)indol-7-yl]propan-2-amine
CID 102917302
1-(2-ethylbutyl)indole-7-carboxylic acid
CID 82928947
1-(2,2-difluoroethyl)-7-ethylindole
CID 116618758
(2S)-1-naphthalen-1-ylbutan-2-amine
CID 178163209
1-[1-[2-(2-methylpropoxy)ethyl]indol-7-yl]propan-2-amine
CID 106457568
3-(1-ethylindol-7-yl)-2-methylpropanoic acid
CID 115106604
1-[1-(methoxymethyl)indol-4-yl]butan-2-amine
CID 65364705
1-[1-(2-methylpropyl)indol-7-yl]ethanamine
CID 115106521
[1-(2-methoxypropyl)indol-7-yl]methanol
CID 102912071

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-ethylbutyl)indol-7-yl]butan-2-amine?
The IUPAC name of 1-[1-(2-ethylbutyl)indol-7-yl]butan-2-amine (CID 102917351) is 1-[1-(2-ethylbutyl)indol-7-yl]butan-2-amine.
What is the SMILES notation for 1-[1-(2-ethylbutyl)indol-7-yl]butan-2-amine?
The canonical SMILES for 1-[1-(2-ethylbutyl)indol-7-yl]butan-2-amine is CCC(N)Cc1cccc2ccn(CC(CC)CC)c12.
What is the InChIKey of 1-[1-(2-ethylbutyl)indol-7-yl]butan-2-amine?
The InChIKey is LQPQCLOVPASDCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-4-14(5-2)13-20-11-10-15-8-7-9-16(18(15)20)12-17(19)6-3/h7-11,14,17H,4-6,12-13,19H2,1-3H3.
What are the key properties of 1-[1-(2-ethylbutyl)indol-7-yl]butan-2-amine?
1-[1-(2-ethylbutyl)indol-7-yl]butan-2-amine has a molecular weight of 272.44 g/mol, XLogP of 4.36, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-ethylbutyl)indol-7-yl]butan-2-amine is sourced from PubChem (CID 102917351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).