(1S)-1-(1H-indol-7-yl)propan-1-amine

C11H14N2 — CID 55254624

IUPAC(1S)-1-(1H-indol-7-yl)propan-1-amine
SMILESCC[C@H](N)c1cccc2cc[nH]c12
InChIInChI=1S/C11H14N2/c1-2-10(12)9-5-3-4-8-6-7-13-11(8)9/h3-7,10,13H,2,12H2,1H3/t10-/m0/s1
InChIKeyLHJFCVYKUCCCSZ-JTQLQIEISA-N
MW174.25 g/mol
LogP2.58
Rot. Bonds2

About (1S)-1-(1H-indol-7-yl)propan-1-amine

(1S)-1-(1H-indol-7-yl)propan-1-amine (PubChem CID 55254624) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is (1S)-1-(1H-indol-7-yl)propan-1-amine.

Molecular Properties

Compound Name(1S)-1-(1H-indol-7-yl)propan-1-amine
PubChem CID55254624
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC Name(1S)-1-(1H-indol-7-yl)propan-1-amine
SMILESCC[C@H](N)c1cccc2cc[nH]c12
InChIInChI=1S/C11H14N2/c1-2-10(12)9-5-3-4-8-6-7-13-11(8)9/h3-7,10,13H,2,12H2,1H3/t10-/m0/s1
InChIKeyLHJFCVYKUCCCSZ-JTQLQIEISA-N
XLogP2.58
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-(1H-indol-7-yl)propan-1-amine?
The IUPAC name of (1S)-1-(1H-indol-7-yl)propan-1-amine (CID 55254624) is (1S)-1-(1H-indol-7-yl)propan-1-amine.
What is the SMILES notation for (1S)-1-(1H-indol-7-yl)propan-1-amine?
The canonical SMILES for (1S)-1-(1H-indol-7-yl)propan-1-amine is CC[C@H](N)c1cccc2cc[nH]c12.
What is the InChIKey of (1S)-1-(1H-indol-7-yl)propan-1-amine?
The InChIKey is LHJFCVYKUCCCSZ-JTQLQIEISA-N. The full InChI is InChI=1S/C11H14N2/c1-2-10(12)9-5-3-4-8-6-7-13-11(8)9/h3-7,10,13H,2,12H2,1H3/t10-/m0/s1.
What are the key properties of (1S)-1-(1H-indol-7-yl)propan-1-amine?
(1S)-1-(1H-indol-7-yl)propan-1-amine has a molecular weight of 174.25 g/mol, XLogP of 2.58, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(1H-indol-7-yl)propan-1-amine is sourced from PubChem (CID 55254624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).