[5-[(1-amino-2-methylpropan-2-yl)amino]-5-oxopentyl] hypoiodite

C9H19IN2O2 — CID 146357651

IUPAC[5-[(1-amino-2-methylpropan-2-yl)amino]-5-oxopentyl] hypoiodite
SMILESCC(C)(CN)NC(=O)CCCCOI
InChIInChI=1S/C9H19IN2O2/c1-9(2,7-11)12-8(13)5-3-4-6-14-10/h3-7,11H2,1-2H3,(H,12,13)
InChIKeyFZEKPMUUXILFAT-UHFFFAOYSA-N
MW314.17 g/mol
LogP1.38
Rot. Bonds7

About [5-[(1-amino-2-methylpropan-2-yl)amino]-5-oxopentyl] hypoiodite

[5-[(1-amino-2-methylpropan-2-yl)amino]-5-oxopentyl] hypoiodite (PubChem CID 146357651) has the molecular formula C9H19IN2O2 and a molecular weight of 314.17 g/mol. Its IUPAC name is [5-[(1-amino-2-methylpropan-2-yl)amino]-5-oxopentyl] hypoiodite.

Molecular Properties

Compound Name[5-[(1-amino-2-methylpropan-2-yl)amino]-5-oxopentyl] hypoiodite
PubChem CID146357651
Molecular FormulaC9H19IN2O2
Molecular Weight314.17 g/mol
Exact Mass314.05
IUPAC Name[5-[(1-amino-2-methylpropan-2-yl)amino]-5-oxopentyl] hypoiodite
SMILESCC(C)(CN)NC(=O)CCCCOI
InChIInChI=1S/C9H19IN2O2/c1-9(2,7-11)12-8(13)5-3-4-6-14-10/h3-7,11H2,1-2H3,(H,12,13)
InChIKeyFZEKPMUUXILFAT-UHFFFAOYSA-N
XLogP1.38
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.17
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(1-amino-2-methylpropan-2-yl)-4-(4-iodophenoxy)butanamide
CID 119524592
N-[4-[(1-amino-2-methylpropan-2-yl)amino]-4-oxobutyl]-2,2-dimethylpropanamide;hydrochloride
CID 119523411
N-(1-amino-2-methylpropan-2-yl)-5-(4-methylphenyl)pentanamide
CID 119522094
7-amino-N-(1-hydroxy-2-methylpropan-2-yl)heptanamide
CID 43500036
N-(1-amino-2-methylpropan-2-yl)-4-cyclohexylbutanamide;hydrochloride
CID 119523315
N-(1-amino-2-methylpropan-2-yl)-3-(3,5-dimethylphenoxy)propanamide
CID 110834140
N-[4-[(1-amino-2-methylpropan-2-yl)amino]-4-oxobutyl]cyclopropanecarboxamide
CID 119522998
N-(1-amino-2-methylpropan-2-yl)-3-butylsulfanylpropanamide
CID 119525174
4-(5-methoxypentanoylamino)-4-methylpentanoic acid
CID 119203844
N-(1-amino-2-methylpropan-2-yl)-4-[4-(2-methoxyethyl)phenoxy]butanamide
CID 119522166
(10-amino-10-oxodecyl) hypoiodite
CID 142045548
6-amino-N-[2-methyl-4-(2,3,3-trimethylbutan-2-yloxy)butan-2-yl]hexanamide
CID 167239667

Frequently Asked Questions

What is the IUPAC name of [5-[(1-amino-2-methylpropan-2-yl)amino]-5-oxopentyl] hypoiodite?
The IUPAC name of [5-[(1-amino-2-methylpropan-2-yl)amino]-5-oxopentyl] hypoiodite (CID 146357651) is [5-[(1-amino-2-methylpropan-2-yl)amino]-5-oxopentyl] hypoiodite.
What is the SMILES notation for [5-[(1-amino-2-methylpropan-2-yl)amino]-5-oxopentyl] hypoiodite?
The canonical SMILES for [5-[(1-amino-2-methylpropan-2-yl)amino]-5-oxopentyl] hypoiodite is CC(C)(CN)NC(=O)CCCCOI.
What is the InChIKey of [5-[(1-amino-2-methylpropan-2-yl)amino]-5-oxopentyl] hypoiodite?
The InChIKey is FZEKPMUUXILFAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19IN2O2/c1-9(2,7-11)12-8(13)5-3-4-6-14-10/h3-7,11H2,1-2H3,(H,12,13).
What are the key properties of [5-[(1-amino-2-methylpropan-2-yl)amino]-5-oxopentyl] hypoiodite?
[5-[(1-amino-2-methylpropan-2-yl)amino]-5-oxopentyl] hypoiodite has a molecular weight of 314.17 g/mol, XLogP of 1.38, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(1-amino-2-methylpropan-2-yl)amino]-5-oxopentyl] hypoiodite is sourced from PubChem (CID 146357651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).