(1R,2S,6R,7S)-10-iodo-4-methyl-4,10-diazatricyclo[5.2.1.02,6]decane

C9H15IN2 — CID 146532341

IUPAC(1R,2S,6R,7S)-10-iodo-4-methyl-4,10-diazatricyclo[5.2.1.02,6]decane
SMILESCN1C[C@@H]2[C@H](C1)[C@@H]1CC[C@H]2N1I
InChIInChI=1S/C9H15IN2/c1-11-4-6-7(5-11)9-3-2-8(6)12(9)10/h6-9H,2-5H2,1H3/t6-,7+,8-,9+
InChIKeyCBLHTHIPAYSAHH-SPJNRGJMSA-N
MW278.14 g/mol
LogP1.36
Rot. Bonds

About (1R,2S,6R,7S)-10-iodo-4-methyl-4,10-diazatricyclo[5.2.1.02,6]decane

(1R,2S,6R,7S)-10-iodo-4-methyl-4,10-diazatricyclo[5.2.1.02,6]decane (PubChem CID 146532341) has the molecular formula C9H15IN2 and a molecular weight of 278.14 g/mol. Its IUPAC name is (1R,2S,6R,7S)-10-iodo-4-methyl-4,10-diazatricyclo[5.2.1.02,6]decane.

Molecular Properties

Compound Name(1R,2S,6R,7S)-10-iodo-4-methyl-4,10-diazatricyclo[5.2.1.02,6]decane
PubChem CID146532341
Molecular FormulaC9H15IN2
Molecular Weight278.14 g/mol
Exact Mass278.03
IUPAC Name(1R,2S,6R,7S)-10-iodo-4-methyl-4,10-diazatricyclo[5.2.1.02,6]decane
SMILESCN1C[C@@H]2[C@H](C1)[C@@H]1CC[C@H]2N1I
InChIInChI=1S/C9H15IN2/c1-11-4-6-7(5-11)9-3-2-8(6)12(9)10/h6-9H,2-5H2,1H3/t6-,7+,8-,9+
InChIKeyCBLHTHIPAYSAHH-SPJNRGJMSA-N
XLogP1.36
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.14
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1R,2S,6R,7S)-10-iodo-4-methyl-4,10-diazatricyclo[5.2.1.02,6]decane?
The IUPAC name of (1R,2S,6R,7S)-10-iodo-4-methyl-4,10-diazatricyclo[5.2.1.02,6]decane (CID 146532341) is (1R,2S,6R,7S)-10-iodo-4-methyl-4,10-diazatricyclo[5.2.1.02,6]decane.
What is the SMILES notation for (1R,2S,6R,7S)-10-iodo-4-methyl-4,10-diazatricyclo[5.2.1.02,6]decane?
The canonical SMILES for (1R,2S,6R,7S)-10-iodo-4-methyl-4,10-diazatricyclo[5.2.1.02,6]decane is CN1C[C@@H]2[C@H](C1)[C@@H]1CC[C@H]2N1I.
What is the InChIKey of (1R,2S,6R,7S)-10-iodo-4-methyl-4,10-diazatricyclo[5.2.1.02,6]decane?
The InChIKey is CBLHTHIPAYSAHH-SPJNRGJMSA-N. The full InChI is InChI=1S/C9H15IN2/c1-11-4-6-7(5-11)9-3-2-8(6)12(9)10/h6-9H,2-5H2,1H3/t6-,7+,8-,9+.
What are the key properties of (1R,2S,6R,7S)-10-iodo-4-methyl-4,10-diazatricyclo[5.2.1.02,6]decane?
(1R,2S,6R,7S)-10-iodo-4-methyl-4,10-diazatricyclo[5.2.1.02,6]decane has a molecular weight of 278.14 g/mol, XLogP of 1.36, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,6R,7S)-10-iodo-4-methyl-4,10-diazatricyclo[5.2.1.02,6]decane is sourced from PubChem (CID 146532341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).