3-(3-ethyl-5-propan-2-ylindol-1-yl)propan-1-amine

C16H24N2 — CID 83948594

IUPAC3-(3-ethyl-5-propan-2-ylindol-1-yl)propan-1-amine
SMILESCCc1cn(CCCN)c2ccc(C(C)C)cc12
InChIInChI=1S/C16H24N2/c1-4-13-11-18(9-5-8-17)16-7-6-14(12(2)3)10-15(13)16/h6-7,10-12H,4-5,8-9,17H2,1-3H3
InChIKeyCNCBPVGKQJISEI-UHFFFAOYSA-N
MW244.38 g/mol
LogP3.68
Rot. Bonds5

About 3-(3-ethyl-5-propan-2-ylindol-1-yl)propan-1-amine

3-(3-ethyl-5-propan-2-ylindol-1-yl)propan-1-amine (PubChem CID 83948594) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 3-(3-ethyl-5-propan-2-ylindol-1-yl)propan-1-amine.

Molecular Properties

Compound Name3-(3-ethyl-5-propan-2-ylindol-1-yl)propan-1-amine
PubChem CID83948594
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name3-(3-ethyl-5-propan-2-ylindol-1-yl)propan-1-amine
SMILESCCc1cn(CCCN)c2ccc(C(C)C)cc12
InChIInChI=1S/C16H24N2/c1-4-13-11-18(9-5-8-17)16-7-6-14(12(2)3)10-15(13)16/h6-7,10-12H,4-5,8-9,17H2,1-3H3
InChIKeyCNCBPVGKQJISEI-UHFFFAOYSA-N
XLogP3.68
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 ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3,5-diethylindol-1-yl)propan-1-amine
CID 83948751
3-(3-ethyl-5,6-dimethylindol-1-yl)propan-1-amine
CID 83948289
3-[3-(2-aminoethyl)-5-ethylindol-1-yl]propan-1-amine
CID 83948758
2-[3-(2-aminoethyl)-5-propan-2-ylindol-1-yl]acetic acid
CID 83945028
3-(8-ethyl-2,3-dihydro-[1,4]dioxino[2,3-f]indol-6-yl)propan-1-amine
CID 83948422
3-(5-ethyl-3-propylindol-1-yl)propan-1-amine
CID 83948753
3-(5,6-diethoxy-3-ethylindol-1-yl)propan-1-amine
CID 83948447
(1-methyl-5-propan-2-ylindol-3-yl)methanamine
CID 82491626
3-(5-methyl-3-propan-2-ylindol-1-yl)propan-1-amine
CID 83948737
methyl 2-[1-(2-hydroxyethyl)-5-propan-2-ylindol-3-yl]acetate
CID 83944998
3-(6-chloro-3-ethyl-5-methoxyindol-1-yl)propan-1-amine
CID 83948348
1-[1-(3-hydroxypropyl)-5-propan-2-ylindol-3-yl]ethanone
CID 83947629

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethyl-5-propan-2-ylindol-1-yl)propan-1-amine?
The IUPAC name of 3-(3-ethyl-5-propan-2-ylindol-1-yl)propan-1-amine (CID 83948594) is 3-(3-ethyl-5-propan-2-ylindol-1-yl)propan-1-amine.
What is the SMILES notation for 3-(3-ethyl-5-propan-2-ylindol-1-yl)propan-1-amine?
The canonical SMILES for 3-(3-ethyl-5-propan-2-ylindol-1-yl)propan-1-amine is CCc1cn(CCCN)c2ccc(C(C)C)cc12.
What is the InChIKey of 3-(3-ethyl-5-propan-2-ylindol-1-yl)propan-1-amine?
The InChIKey is CNCBPVGKQJISEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-4-13-11-18(9-5-8-17)16-7-6-14(12(2)3)10-15(13)16/h6-7,10-12H,4-5,8-9,17H2,1-3H3.
What are the key properties of 3-(3-ethyl-5-propan-2-ylindol-1-yl)propan-1-amine?
3-(3-ethyl-5-propan-2-ylindol-1-yl)propan-1-amine has a molecular weight of 244.38 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethyl-5-propan-2-ylindol-1-yl)propan-1-amine is sourced from PubChem (CID 83948594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).