1-(1H-indol-3-yl)-5-iodopentan-2-amine

C13H17IN2 — CID 130234748

IUPAC1-(1H-indol-3-yl)-5-iodopentan-2-amine
SMILESNC(CCCI)Cc1c[nH]c2ccccc12
InChIInChI=1S/C13H17IN2/c14-7-3-4-11(15)8-10-9-16-13-6-2-1-5-12(10)13/h1-2,5-6,9,11,16H,3-4,7-8,15H2
InChIKeyVUMGUQJXOJFWJP-UHFFFAOYSA-N
MW328.20 g/mol
LogP3.25
Rot. Bonds5

About 1-(1H-indol-3-yl)-5-iodopentan-2-amine

1-(1H-indol-3-yl)-5-iodopentan-2-amine (PubChem CID 130234748) has the molecular formula C13H17IN2 and a molecular weight of 328.20 g/mol. Its IUPAC name is 1-(1H-indol-3-yl)-5-iodopentan-2-amine.

Molecular Properties

Compound Name1-(1H-indol-3-yl)-5-iodopentan-2-amine
PubChem CID130234748
Molecular FormulaC13H17IN2
Molecular Weight328.20 g/mol
Exact Mass328.04
IUPAC Name1-(1H-indol-3-yl)-5-iodopentan-2-amine
SMILESNC(CCCI)Cc1c[nH]c2ccccc12
InChIInChI=1S/C13H17IN2/c14-7-3-4-11(15)8-10-9-16-13-6-2-1-5-12(10)13/h1-2,5-6,9,11,16H,3-4,7-8,15H2
InChIKeyVUMGUQJXOJFWJP-UHFFFAOYSA-N
XLogP3.25
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.20
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(1H-indol-3-yl)butan-2-amine
CID 8367
(2S)-2-amino-3-(1H-indol-3-yl)propane-1-thiol
CID 141276823
4-amino-5-(1H-indol-3-yl)pentanoic acid
CID 53414125
1-(1H-indol-3-yl)propan-2-amine;dihydrochloride
CID 141487070
(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid
CID 6305
(2S)-2-amino-3-(1H-indol-3-yl)(1,2,3-13C3)propanoic acid
CID 162642150
(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid;manganese
CID 159424306
1-(1H-indol-3-yl)-3-methylbut-3-en-2-amine
CID 130443458
CID 70188356
CID 70188356
(2R)-2-amino-3-(1H-indol-3-yl)propanoyl fluoride
CID 175991895
2-amino-3-(1H-indol-3-yl)propanoic acid;dihydrate
CID 86010535
2-amino-3-(1H-indol-3-yl)propanoic acid;gold
CID 175305655

Frequently Asked Questions

What is the IUPAC name of 1-(1H-indol-3-yl)-5-iodopentan-2-amine?
The IUPAC name of 1-(1H-indol-3-yl)-5-iodopentan-2-amine (CID 130234748) is 1-(1H-indol-3-yl)-5-iodopentan-2-amine.
What is the SMILES notation for 1-(1H-indol-3-yl)-5-iodopentan-2-amine?
The canonical SMILES for 1-(1H-indol-3-yl)-5-iodopentan-2-amine is NC(CCCI)Cc1c[nH]c2ccccc12.
What is the InChIKey of 1-(1H-indol-3-yl)-5-iodopentan-2-amine?
The InChIKey is VUMGUQJXOJFWJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17IN2/c14-7-3-4-11(15)8-10-9-16-13-6-2-1-5-12(10)13/h1-2,5-6,9,11,16H,3-4,7-8,15H2.
What are the key properties of 1-(1H-indol-3-yl)-5-iodopentan-2-amine?
1-(1H-indol-3-yl)-5-iodopentan-2-amine has a molecular weight of 328.20 g/mol, XLogP of 3.25, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indol-3-yl)-5-iodopentan-2-amine is sourced from PubChem (CID 130234748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).