3-(1-ethyl-7-methylindol-3-yl)propan-1-amine

C14H20N2 — CID 117197455

IUPAC3-(1-ethyl-7-methylindol-3-yl)propan-1-amine
SMILESCCn1cc(CCCN)c2cccc(C)c21
InChIInChI=1S/C14H20N2/c1-3-16-10-12(7-5-9-15)13-8-4-6-11(2)14(13)16/h4,6,8,10H,3,5,7,9,15H2,1-2H3
InChIKeyCOMDUTHELHBXSZ-UHFFFAOYSA-N
MW216.33 g/mol
LogP2.86
Rot. Bonds4

About 3-(1-ethyl-7-methylindol-3-yl)propan-1-amine

3-(1-ethyl-7-methylindol-3-yl)propan-1-amine (PubChem CID 117197455) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 3-(1-ethyl-7-methylindol-3-yl)propan-1-amine.

Molecular Properties

Compound Name3-(1-ethyl-7-methylindol-3-yl)propan-1-amine
PubChem CID117197455
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name3-(1-ethyl-7-methylindol-3-yl)propan-1-amine
SMILESCCn1cc(CCCN)c2cccc(C)c21
InChIInChI=1S/C14H20N2/c1-3-16-10-12(7-5-9-15)13-8-4-6-11(2)14(13)16/h4,6,8,10H,3,5,7,9,15H2,1-2H3
InChIKeyCOMDUTHELHBXSZ-UHFFFAOYSA-N
XLogP2.86
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1-ethyl-7-methoxyindol-3-yl)propan-1-amine
CID 117197959
3-(6-chloro-1-ethyl-7-methylindol-3-yl)propan-1-amine
CID 83948634
3-(1-ethyl-7-fluoroindol-3-yl)propan-1-ol
CID 83967143
3-[(4-chlorophenoxy)methyl]-1-ethyl-7-methylindole
CID 117186319
(1-ethyl-7-fluoroindol-3-yl)methanamine
CID 117182293
3-[1-methyl-7-(trifluoromethyl)indol-3-yl]propan-1-amine
CID 117197311
3-(3-aminopropyl)-1-ethyl-5-methylindole-7-carboxylic acid
CID 83946029
[1-ethyl-3-[(2-methylphenoxy)methyl]indol-7-yl]methanamine
CID 117182214
3-(1-methylindol-3-yl)propan-1-amine
CID 3930315
3-(2-aminoethyl)-1-ethyl-6-methylindole-7-carboxylic acid
CID 83946328
3-(4-chloro-1-ethylindol-3-yl)propan-1-amine
CID 117119707
1-ethyl-3-(hydroxymethyl)indol-7-ol
CID 117182594

Frequently Asked Questions

What is the IUPAC name of 3-(1-ethyl-7-methylindol-3-yl)propan-1-amine?
The IUPAC name of 3-(1-ethyl-7-methylindol-3-yl)propan-1-amine (CID 117197455) is 3-(1-ethyl-7-methylindol-3-yl)propan-1-amine.
What is the SMILES notation for 3-(1-ethyl-7-methylindol-3-yl)propan-1-amine?
The canonical SMILES for 3-(1-ethyl-7-methylindol-3-yl)propan-1-amine is CCn1cc(CCCN)c2cccc(C)c21.
What is the InChIKey of 3-(1-ethyl-7-methylindol-3-yl)propan-1-amine?
The InChIKey is COMDUTHELHBXSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2/c1-3-16-10-12(7-5-9-15)13-8-4-6-11(2)14(13)16/h4,6,8,10H,3,5,7,9,15H2,1-2H3.
What are the key properties of 3-(1-ethyl-7-methylindol-3-yl)propan-1-amine?
3-(1-ethyl-7-methylindol-3-yl)propan-1-amine has a molecular weight of 216.33 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethyl-7-methylindol-3-yl)propan-1-amine is sourced from PubChem (CID 117197455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).