3-(1H-indol-3-yl)propan-1-amine

C11H14N2 — CID 28989

IUPAC3-(1H-indol-3-yl)propan-1-amine
SMILESNCCCc1c[nH]c2ccccc12
InChIInChI=1S/C11H14N2/c12-7-3-4-9-8-13-11-6-2-1-5-10(9)11/h1-2,5-6,8,13H,3-4,7,12H2
InChIKeyOOIAXMPVZJKJHK-UHFFFAOYSA-N
MW174.25 g/mol
LogP2.06
Rot. Bonds3

About 3-(1H-indol-3-yl)propan-1-amine

3-(1H-indol-3-yl)propan-1-amine (PubChem CID 28989) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is 3-(1H-indol-3-yl)propan-1-amine.

Molecular Properties

Compound Name3-(1H-indol-3-yl)propan-1-amine
PubChem CID28989
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC Name3-(1H-indol-3-yl)propan-1-amine
SMILESNCCCc1c[nH]c2ccccc12
InChIInChI=1S/C11H14N2/c12-7-3-4-9-8-13-11-6-2-1-5-10(9)11/h1-2,5-6,8,13H,3-4,7,12H2
InChIKeyOOIAXMPVZJKJHK-UHFFFAOYSA-N
XLogP2.06
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-3-yl)propan-1-amine?
The IUPAC name of 3-(1H-indol-3-yl)propan-1-amine (CID 28989) is 3-(1H-indol-3-yl)propan-1-amine.
What is the SMILES notation for 3-(1H-indol-3-yl)propan-1-amine?
The canonical SMILES for 3-(1H-indol-3-yl)propan-1-amine is NCCCc1c[nH]c2ccccc12.
What is the InChIKey of 3-(1H-indol-3-yl)propan-1-amine?
The InChIKey is OOIAXMPVZJKJHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2/c12-7-3-4-9-8-13-11-6-2-1-5-10(9)11/h1-2,5-6,8,13H,3-4,7,12H2.
What are the key properties of 3-(1H-indol-3-yl)propan-1-amine?
3-(1H-indol-3-yl)propan-1-amine has a molecular weight of 174.25 g/mol, XLogP of 2.06, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-3-yl)propan-1-amine is sourced from PubChem (CID 28989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).