1-(7-ethyl-1H-indol-3-yl)butan-2-amine

C14H20N2 — CID 154181307

IUPAC1-(7-ethyl-1H-indol-3-yl)butan-2-amine
SMILESCCc1cccc2c(CC(N)CC)c[nH]c12
InChIInChI=1S/C14H20N2/c1-3-10-6-5-7-13-11(8-12(15)4-2)9-16-14(10)13/h5-7,9,12,16H,3-4,8,15H2,1-2H3
InChIKeyBKOXXFSLIPCHEB-UHFFFAOYSA-N
MW216.33 g/mol
LogP3.01
Rot. Bonds4

About 1-(7-ethyl-1H-indol-3-yl)butan-2-amine

1-(7-ethyl-1H-indol-3-yl)butan-2-amine (PubChem CID 154181307) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 1-(7-ethyl-1H-indol-3-yl)butan-2-amine.

Molecular Properties

Compound Name1-(7-ethyl-1H-indol-3-yl)butan-2-amine
PubChem CID154181307
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name1-(7-ethyl-1H-indol-3-yl)butan-2-amine
SMILESCCc1cccc2c(CC(N)CC)c[nH]c12
InChIInChI=1S/C14H20N2/c1-3-10-6-5-7-13-11(8-12(15)4-2)9-16-14(10)13/h5-7,9,12,16H,3-4,8,15H2,1-2H3
InChIKeyBKOXXFSLIPCHEB-UHFFFAOYSA-N
XLogP3.01
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(1H-indol-3-yl)butan-2-amine
CID 8367
(2S)-1-naphthalen-1-ylbutan-2-amine
CID 178163209
7-ethyl-3-methyl-1H-indole
CID 13271010
1-(7-ethyl-1H-indol-3-yl)-2-methoxyethanamine
CID 76846668
2-(8-ethyl-4-oxo-1H-quinolin-3-yl)acetic acid
CID 84694419
7-ethyl-3-(1H-indol-3-yl)-1H-indole
CID 46901494
1-butan-2-yl-2-[2-(7-ethyl-1H-indol-3-yl)ethyl]guanidine
CID 111117715
cyclohexyl-(7-ethyl-1H-indol-3-yl)methanamine
CID 82277764
(1S)-1-(7-ethyl-1H-indol-3-yl)-N,N-dimethylethane-1,2-diamine
CID 96599431
7-ethyl-3-[(7-ethyl-1H-indol-3-yl)-phenylmethyl]-1H-indole
CID 101447638
(2S)-2-amino-3-(7-prop-2-enyl-1H-indol-3-yl)propanoic acid
CID 138470175
1,1-diethyl-2-[2-(7-ethyl-1H-indol-3-yl)ethyl]guanidine
CID 111807078

Frequently Asked Questions

What is the IUPAC name of 1-(7-ethyl-1H-indol-3-yl)butan-2-amine?
The IUPAC name of 1-(7-ethyl-1H-indol-3-yl)butan-2-amine (CID 154181307) is 1-(7-ethyl-1H-indol-3-yl)butan-2-amine.
What is the SMILES notation for 1-(7-ethyl-1H-indol-3-yl)butan-2-amine?
The canonical SMILES for 1-(7-ethyl-1H-indol-3-yl)butan-2-amine is CCc1cccc2c(CC(N)CC)c[nH]c12.
What is the InChIKey of 1-(7-ethyl-1H-indol-3-yl)butan-2-amine?
The InChIKey is BKOXXFSLIPCHEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2/c1-3-10-6-5-7-13-11(8-12(15)4-2)9-16-14(10)13/h5-7,9,12,16H,3-4,8,15H2,1-2H3.
What are the key properties of 1-(7-ethyl-1H-indol-3-yl)butan-2-amine?
1-(7-ethyl-1H-indol-3-yl)butan-2-amine has a molecular weight of 216.33 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-ethyl-1H-indol-3-yl)butan-2-amine is sourced from PubChem (CID 154181307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).