6-iodo-3,6-diazabicyclo[3.2.0]heptan-3-amine

C5H10IN3 — CID 155351202

IUPAC6-iodo-3,6-diazabicyclo[3.2.0]heptan-3-amine
SMILESNN1CC2CN(I)C2C1
InChIInChI=1S/C5H10IN3/c6-9-2-4-1-8(7)3-5(4)9/h4-5H,1-3,7H2
InChIKeyRECUUGVCPTZNDY-UHFFFAOYSA-N
MW239.06 g/mol
LogP-0.17
Rot. Bonds

About 6-iodo-3,6-diazabicyclo[3.2.0]heptan-3-amine

6-iodo-3,6-diazabicyclo[3.2.0]heptan-3-amine (PubChem CID 155351202) has the molecular formula C5H10IN3 and a molecular weight of 239.06 g/mol. Its IUPAC name is 6-iodo-3,6-diazabicyclo[3.2.0]heptan-3-amine.

Molecular Properties

Compound Name6-iodo-3,6-diazabicyclo[3.2.0]heptan-3-amine
PubChem CID155351202
Molecular FormulaC5H10IN3
Molecular Weight239.06 g/mol
Exact Mass238.99
IUPAC Name6-iodo-3,6-diazabicyclo[3.2.0]heptan-3-amine
SMILESNN1CC2CN(I)C2C1
InChIInChI=1S/C5H10IN3/c6-9-2-4-1-8(7)3-5(4)9/h4-5H,1-3,7H2
InChIKeyRECUUGVCPTZNDY-UHFFFAOYSA-N
XLogP-0.17
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.06
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1R,5S)-6-iodo-3,6-diazabicyclo[3.2.0]heptane
CID 143887791
8-methyl-3-azabicyclo[3.2.1]octan-3-amine
CID 135226676
2-iodo-5-methoxy-2-azabicyclo[2.1.1]hexane
CID 167275781
3,3a,4,5,6,7,8,8a-octahydro-1H-pyrrolo[3,4-d]azepin-2-amine
CID 145369428
2-iodo-2-azatricyclo[8.6.1.04,17]heptadecane
CID 170151734
(3S,5S)-3-fluoro-5-iodopiperidin-1-amine
CID 155111181
(3aR,7aR)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-amine
CID 129410905
3,3a,4,7,8,8a-hexahydro-1H-cyclohepta[c]pyrrol-2-amine
CID 121261261
1-iodo-2-methylaziridine
CID 139722499
1-iodo-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-3-amine
CID 166797027
3-[(3aS,6aR)-5-amino-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]propan-1-ol
CID 118533669
1-aminoazepane-3,6-diol
CID 144890831

Frequently Asked Questions

What is the IUPAC name of 6-iodo-3,6-diazabicyclo[3.2.0]heptan-3-amine?
The IUPAC name of 6-iodo-3,6-diazabicyclo[3.2.0]heptan-3-amine (CID 155351202) is 6-iodo-3,6-diazabicyclo[3.2.0]heptan-3-amine.
What is the SMILES notation for 6-iodo-3,6-diazabicyclo[3.2.0]heptan-3-amine?
The canonical SMILES for 6-iodo-3,6-diazabicyclo[3.2.0]heptan-3-amine is NN1CC2CN(I)C2C1.
What is the InChIKey of 6-iodo-3,6-diazabicyclo[3.2.0]heptan-3-amine?
The InChIKey is RECUUGVCPTZNDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10IN3/c6-9-2-4-1-8(7)3-5(4)9/h4-5H,1-3,7H2.
What are the key properties of 6-iodo-3,6-diazabicyclo[3.2.0]heptan-3-amine?
6-iodo-3,6-diazabicyclo[3.2.0]heptan-3-amine has a molecular weight of 239.06 g/mol, XLogP of -0.17, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-iodo-3,6-diazabicyclo[3.2.0]heptan-3-amine is sourced from PubChem (CID 155351202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).