[4-amino-5-[amino(methyl)amino]-9-bicyclo[6.1.0]non-4-enyl]methyl hypoiodite

C11H20IN3O — CID 147326356

IUPAC[4-amino-5-[amino(methyl)amino]-9-bicyclo[6.1.0]non-4-enyl]methyl hypoiodite
SMILESCN(N)C1=C(N)CCC2C(CC1)C2COI
InChIInChI=1S/C11H20IN3O/c1-15(14)11-5-3-8-7(2-4-10(11)13)9(8)6-16-12/h7-9H,2-6,13-14H2,1H3
InChIKeyDAULTVZQNYAUOA-UHFFFAOYSA-N
MW337.21 g/mol
LogP1.76
Rot. Bonds3

About [4-amino-5-[amino(methyl)amino]-9-bicyclo[6.1.0]non-4-enyl]methyl hypoiodite

[4-amino-5-[amino(methyl)amino]-9-bicyclo[6.1.0]non-4-enyl]methyl hypoiodite (PubChem CID 147326356) has the molecular formula C11H20IN3O and a molecular weight of 337.21 g/mol. Its IUPAC name is [4-amino-5-[amino(methyl)amino]-9-bicyclo[6.1.0]non-4-enyl]methyl hypoiodite.

Molecular Properties

Compound Name[4-amino-5-[amino(methyl)amino]-9-bicyclo[6.1.0]non-4-enyl]methyl hypoiodite
PubChem CID147326356
Molecular FormulaC11H20IN3O
Molecular Weight337.21 g/mol
Exact Mass337.07
IUPAC Name[4-amino-5-[amino(methyl)amino]-9-bicyclo[6.1.0]non-4-enyl]methyl hypoiodite
SMILESCN(N)C1=C(N)CCC2C(CC1)C2COI
InChIInChI=1S/C11H20IN3O/c1-15(14)11-5-3-8-7(2-4-10(11)13)9(8)6-16-12/h7-9H,2-6,13-14H2,1H3
InChIKeyDAULTVZQNYAUOA-UHFFFAOYSA-N
XLogP1.76
TPSA64.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.21
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(4R,5S,6S)-10-pentyl-10,11,12-triazatricyclo[7.3.0.04,6]dodec-1(9)-en-5-yl]methanol
CID 126541910
[(1R,4Z,8S,9S)-4-amino-5-[amino(butyl)amino]-9-bicyclo[6.1.0]non-4-enyl]methanol
CID 126541912
[(1R,4Z,9R)-4-amino-5-[amino(2,2-dimethylpropyl)amino]-9-bicyclo[6.1.0]non-4-enyl]methanol
CID 126542051
[(1R,4Z,8S,9R)-4-amino-5-[amino(tert-butyl)amino]-9-bicyclo[6.1.0]non-4-enyl]methanol
CID 126542506
[(4Z,9S)-4-amino-5-[amino(2,2-dimethylpropyl)amino]-9-bicyclo[6.1.0]non-4-enyl]methanol
CID 126542513
[(1R,4Z,8S,9R)-4-amino-5-[amino(2,2-dimethylpropyl)amino]-9-bicyclo[6.1.0]non-4-enyl]methanol
CID 126545619
(4Z)-5-[amino(methyl)amino]bicyclo[6.1.0]non-4-en-4-amine;methoxymethane
CID 142601746
[(1R,4Z,8S,9R)-4-amino-5-[amino(2,2-dimethylpropyl)amino]-9-bicyclo[6.1.0]non-4-enyl]methanol;ethane
CID 145240182
(4Z)-5-[amino(methyl)amino]bicyclo[6.1.0]non-4-en-4-amine;ethane;methoxymethane
CID 153397858
(Z)-3-[amino(methyl)amino]-5-[2-ethyl-3-(methoxymethyl)cyclopropyl]pent-2-en-2-amine
CID 156215939
[2-[(Z)-4-amino-3-[amino(methyl)amino]pent-3-enyl]-3-ethylcyclopropyl]methanol
CID 156255769
5-(Methoxymethyl)-10,11,12-triazatricyclo[7.3.0.04,6]dodec-1(9)-ene
CID 164037743

Frequently Asked Questions

What is the IUPAC name of [4-amino-5-[amino(methyl)amino]-9-bicyclo[6.1.0]non-4-enyl]methyl hypoiodite?
The IUPAC name of [4-amino-5-[amino(methyl)amino]-9-bicyclo[6.1.0]non-4-enyl]methyl hypoiodite (CID 147326356) is [4-amino-5-[amino(methyl)amino]-9-bicyclo[6.1.0]non-4-enyl]methyl hypoiodite.
What is the SMILES notation for [4-amino-5-[amino(methyl)amino]-9-bicyclo[6.1.0]non-4-enyl]methyl hypoiodite?
The canonical SMILES for [4-amino-5-[amino(methyl)amino]-9-bicyclo[6.1.0]non-4-enyl]methyl hypoiodite is CN(N)C1=C(N)CCC2C(CC1)C2COI.
What is the InChIKey of [4-amino-5-[amino(methyl)amino]-9-bicyclo[6.1.0]non-4-enyl]methyl hypoiodite?
The InChIKey is DAULTVZQNYAUOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20IN3O/c1-15(14)11-5-3-8-7(2-4-10(11)13)9(8)6-16-12/h7-9H,2-6,13-14H2,1H3.
What are the key properties of [4-amino-5-[amino(methyl)amino]-9-bicyclo[6.1.0]non-4-enyl]methyl hypoiodite?
[4-amino-5-[amino(methyl)amino]-9-bicyclo[6.1.0]non-4-enyl]methyl hypoiodite has a molecular weight of 337.21 g/mol, XLogP of 1.76, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-5-[amino(methyl)amino]-9-bicyclo[6.1.0]non-4-enyl]methyl hypoiodite is sourced from PubChem (CID 147326356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).