3-amino-7-(iodoiodanuidylamino)heptan-2-one

C7H15I2N2O- — CID 176943999

IUPAC3-amino-7-(iodoiodanuidylamino)heptan-2-one
SMILESCC(=O)C(N)CCCCN[I-]I
InChIInChI=1S/C7H15I2N2O/c1-6(12)7(10)4-2-3-5-11-9-8/h7,11H,2-5,10H2,1H3/q-1
InChIKeyAOMGPYIKBMVYPV-UHFFFAOYSA-N
MW397.02 g/mol
LogP-1.98
Rot. Bonds7

About 3-amino-7-(iodoiodanuidylamino)heptan-2-one

3-amino-7-(iodoiodanuidylamino)heptan-2-one (PubChem CID 176943999) has the molecular formula C7H15I2N2O- and a molecular weight of 397.02 g/mol. Its IUPAC name is 3-amino-7-(iodoiodanuidylamino)heptan-2-one.

Molecular Properties

Compound Name3-amino-7-(iodoiodanuidylamino)heptan-2-one
PubChem CID176943999
Molecular FormulaC7H15I2N2O-
Molecular Weight397.02 g/mol
Exact Mass396.93
IUPAC Name3-amino-7-(iodoiodanuidylamino)heptan-2-one
SMILESCC(=O)C(N)CCCCN[I-]I
InChIInChI=1S/C7H15I2N2O/c1-6(12)7(10)4-2-3-5-11-9-8/h7,11H,2-5,10H2,1H3/q-1
InChIKeyAOMGPYIKBMVYPV-UHFFFAOYSA-N
XLogP-1.98
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.02
LogP ≤ 5-1.98
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'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

(3S,8S)-3,8-diaminodecane-2,9-dione
CID 155082610
3-amino-7-(2-oxopropylamino)heptan-2-one
CID 123521063
(2S)-2,6-diamino-N-[(5S)-5-amino-6-oxoheptyl]hexanamide
CID 89285466
3-aminooctan-2-one;hydrochloride
CID 13478908
3,7-diaminoheptan-2-one;dihydrochloride
CID 12769839
N-(5-amino-6-oxoheptyl)-3-sulfanylpropanamide
CID 160622179
(4-amino-5-oxohexyl)urea;ethane
CID 145237808
(3R)-3-amino-5-(methylamino)pentan-2-one
CID 88569461
3-amino-6-(hydrazinylmethylamino)hexan-2-one
CID 155176532
2-amino-6-(2-oxopropanoylamino)hexanoic acid
CID 59658344
(2S)-2-amino-6-(methylamino)hexanoic acid;ethane
CID 144761266
2-amino-6-(2-propan-2-ylidenehydrazinyl)hexanoic acid
CID 143252601

Frequently Asked Questions

What is the IUPAC name of 3-amino-7-(iodoiodanuidylamino)heptan-2-one?
The IUPAC name of 3-amino-7-(iodoiodanuidylamino)heptan-2-one (CID 176943999) is 3-amino-7-(iodoiodanuidylamino)heptan-2-one.
What is the SMILES notation for 3-amino-7-(iodoiodanuidylamino)heptan-2-one?
The canonical SMILES for 3-amino-7-(iodoiodanuidylamino)heptan-2-one is CC(=O)C(N)CCCCN[I-]I.
What is the InChIKey of 3-amino-7-(iodoiodanuidylamino)heptan-2-one?
The InChIKey is AOMGPYIKBMVYPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15I2N2O/c1-6(12)7(10)4-2-3-5-11-9-8/h7,11H,2-5,10H2,1H3/q-1.
What are the key properties of 3-amino-7-(iodoiodanuidylamino)heptan-2-one?
3-amino-7-(iodoiodanuidylamino)heptan-2-one has a molecular weight of 397.02 g/mol, XLogP of -1.98, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-7-(iodoiodanuidylamino)heptan-2-one is sourced from PubChem (CID 176943999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).