3-indol-1-ylpropan-1-amine

C11H14N2 — CID 2512786

IUPAC3-indol-1-ylpropan-1-amine
SMILESNCCCn1ccc2ccccc21
InChIInChI=1S/C11H14N2/c12-7-3-8-13-9-6-10-4-1-2-5-11(10)13/h1-2,4-6,9H,3,7-8,12H2
InChIKeyWUQNGTJFNCCRKY-UHFFFAOYSA-N
MW174.25 g/mol
LogP1.99
Rot. Bonds3

About 3-indol-1-ylpropan-1-amine

3-indol-1-ylpropan-1-amine (PubChem CID 2512786) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is 3-indol-1-ylpropan-1-amine.

Molecular Properties

Compound Name3-indol-1-ylpropan-1-amine
PubChem CID2512786
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC Name3-indol-1-ylpropan-1-amine
SMILESNCCCn1ccc2ccccc21
InChIInChI=1S/C11H14N2/c12-7-3-8-13-9-6-10-4-1-2-5-11(10)13/h1-2,4-6,9H,3,7-8,12H2
InChIKeyWUQNGTJFNCCRKY-UHFFFAOYSA-N
XLogP1.99
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-fluoropropyl)indole
CID 81113690
3-indol-1-ylpropane-1-thiol
CID 139540347
1-(3-iodopropyl)indole
CID 11323600
1-(2-fluoroethyl)indole
CID 80694500
CID 58655955
CID 58655955
1-(3-ethylsulfonylpropyl)indole
CID 65097244
1-[(E)-5-bromopent-4-enyl]indole
CID 154723220
4-N-(3-indol-1-ylpropyl)-5-methoxypentane-1,4-diamine
CID 103387611
1-(2-phenylethyl)indole
CID 12601752
methanamine;1-(2-phenylethyl)indole
CID 144619116
acetic acid;1-butylindole
CID 162326365
1-[3-(4-methylpiperazin-1-yl)propyl]indole
CID 3018029

Frequently Asked Questions

What is the IUPAC name of 3-indol-1-ylpropan-1-amine?
The IUPAC name of 3-indol-1-ylpropan-1-amine (CID 2512786) is 3-indol-1-ylpropan-1-amine.
What is the SMILES notation for 3-indol-1-ylpropan-1-amine?
The canonical SMILES for 3-indol-1-ylpropan-1-amine is NCCCn1ccc2ccccc21.
What is the InChIKey of 3-indol-1-ylpropan-1-amine?
The InChIKey is WUQNGTJFNCCRKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2/c12-7-3-8-13-9-6-10-4-1-2-5-11(10)13/h1-2,4-6,9H,3,7-8,12H2.
What are the key properties of 3-indol-1-ylpropan-1-amine?
3-indol-1-ylpropan-1-amine has a molecular weight of 174.25 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-indol-1-ylpropan-1-amine is sourced from PubChem (CID 2512786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).