4-(1H-indol-3-yl)butan-1-amine;hydrochloride

C12H17ClN2 — CID 53439494

IUPAC4-(1H-indol-3-yl)butan-1-amine;hydrochloride
SMILESCl.NCCCCc1c[nH]c2ccccc12
InChIInChI=1S/C12H16N2.ClH/c13-8-4-3-5-10-9-14-12-7-2-1-6-11(10)12;/h1-2,6-7,9,14H,3-5,8,13H2;1H
InChIKeyAHHHOBNHYBEDSQ-UHFFFAOYSA-N
MW224.74 g/mol
LogP2.87
Rot. Bonds4

About 4-(1H-indol-3-yl)butan-1-amine;hydrochloride

4-(1H-indol-3-yl)butan-1-amine;hydrochloride (PubChem CID 53439494) has the molecular formula C12H17ClN2 and a molecular weight of 224.74 g/mol. Its IUPAC name is 4-(1H-indol-3-yl)butan-1-amine;hydrochloride.

Molecular Properties

Compound Name4-(1H-indol-3-yl)butan-1-amine;hydrochloride
PubChem CID53439494
Molecular FormulaC12H17ClN2
Molecular Weight224.74 g/mol
Exact Mass224.11
IUPAC Name4-(1H-indol-3-yl)butan-1-amine;hydrochloride
SMILESCl.NCCCCc1c[nH]c2ccccc12
InChIInChI=1S/C12H16N2.ClH/c13-8-4-3-5-10-9-14-12-7-2-1-6-11(10)12;/h1-2,6-7,9,14H,3-5,8,13H2;1H
InChIKeyAHHHOBNHYBEDSQ-UHFFFAOYSA-N
XLogP2.87
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.74
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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4-(1H-indol-3-yl)butanamide
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Frequently Asked Questions

What is the IUPAC name of 4-(1H-indol-3-yl)butan-1-amine;hydrochloride?
The IUPAC name of 4-(1H-indol-3-yl)butan-1-amine;hydrochloride (CID 53439494) is 4-(1H-indol-3-yl)butan-1-amine;hydrochloride.
What is the SMILES notation for 4-(1H-indol-3-yl)butan-1-amine;hydrochloride?
The canonical SMILES for 4-(1H-indol-3-yl)butan-1-amine;hydrochloride is Cl.NCCCCc1c[nH]c2ccccc12.
What is the InChIKey of 4-(1H-indol-3-yl)butan-1-amine;hydrochloride?
The InChIKey is AHHHOBNHYBEDSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2.ClH/c13-8-4-3-5-10-9-14-12-7-2-1-6-11(10)12;/h1-2,6-7,9,14H,3-5,8,13H2;1H.
What are the key properties of 4-(1H-indol-3-yl)butan-1-amine;hydrochloride?
4-(1H-indol-3-yl)butan-1-amine;hydrochloride has a molecular weight of 224.74 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indol-3-yl)butan-1-amine;hydrochloride is sourced from PubChem (CID 53439494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).