4-(1,7-diethylindol-3-yl)butan-2-amine

C16H24N2 — CID 165438547

IUPAC4-(1,7-diethylindol-3-yl)butan-2-amine
SMILESCCc1cccc2c(CCC(C)N)cn(CC)c12
InChIInChI=1S/C16H24N2/c1-4-13-7-6-8-15-14(10-9-12(3)17)11-18(5-2)16(13)15/h6-8,11-12H,4-5,9-10,17H2,1-3H3
InChIKeyPOTPFOWXSKPUJY-UHFFFAOYSA-N
MW244.38 g/mol
LogP3.50
Rot. Bonds5

About 4-(1,7-diethylindol-3-yl)butan-2-amine

4-(1,7-diethylindol-3-yl)butan-2-amine (PubChem CID 165438547) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 4-(1,7-diethylindol-3-yl)butan-2-amine.

Molecular Properties

Compound Name4-(1,7-diethylindol-3-yl)butan-2-amine
PubChem CID165438547
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name4-(1,7-diethylindol-3-yl)butan-2-amine
SMILESCCc1cccc2c(CCC(C)N)cn(CC)c12
InChIInChI=1S/C16H24N2/c1-4-13-7-6-8-15-14(10-9-12(3)17)11-18(5-2)16(13)15/h6-8,11-12H,4-5,9-10,17H2,1-3H3
InChIKeyPOTPFOWXSKPUJY-UHFFFAOYSA-N
XLogP3.50
TPSA30.95 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 ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-4-(7-ethyl-1-methylindol-3-yl)butan-2-amine
CID 96673085
(2S)-4-naphthalen-1-ylbutan-2-amine
CID 93315345
3-(1-ethyl-7-methylindol-3-yl)propan-1-amine
CID 117197455
1-ethyl-3-(hydroxymethyl)indol-7-ol
CID 117182594
[3-[4-(1-ethylindol-3-yl)-2-methylbutanoyl]oxy-2-hydroxypropyl] 4-(1-ethylindol-3-yl)-2-methylbutanoate
CID 172522188
3-(1-ethyl-7-methoxyindol-3-yl)propan-1-amine
CID 117197959
3-(7-chloro-1-ethylindol-3-yl)propanoic acid
CID 117197744
3-(3-aminobutyl)-1-ethylquinolin-2-one
CID 116985538
(1-ethyl-7-fluoroindol-3-yl)methanamine
CID 117182293
1-(1-ethylindol-3-yl)propan-2-amine
CID 6484661
[1-ethyl-3-[(4-fluorophenoxy)methyl]indol-7-yl]methanamine
CID 117182232
1-ethyl-3-(morpholin-4-ylmethyl)indol-7-amine
CID 117182338

Frequently Asked Questions

What is the IUPAC name of 4-(1,7-diethylindol-3-yl)butan-2-amine?
The IUPAC name of 4-(1,7-diethylindol-3-yl)butan-2-amine (CID 165438547) is 4-(1,7-diethylindol-3-yl)butan-2-amine.
What is the SMILES notation for 4-(1,7-diethylindol-3-yl)butan-2-amine?
The canonical SMILES for 4-(1,7-diethylindol-3-yl)butan-2-amine is CCc1cccc2c(CCC(C)N)cn(CC)c12.
What is the InChIKey of 4-(1,7-diethylindol-3-yl)butan-2-amine?
The InChIKey is POTPFOWXSKPUJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-4-13-7-6-8-15-14(10-9-12(3)17)11-18(5-2)16(13)15/h6-8,11-12H,4-5,9-10,17H2,1-3H3.
What are the key properties of 4-(1,7-diethylindol-3-yl)butan-2-amine?
4-(1,7-diethylindol-3-yl)butan-2-amine has a molecular weight of 244.38 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,7-diethylindol-3-yl)butan-2-amine is sourced from PubChem (CID 165438547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).