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

C9H16N2 — CID 131034211

IUPAC(1R,2S,6R,7S)-10-methyl-4,10-diazatricyclo[5.2.1.02,6]decane
SMILESCN1[C@@H]2CC[C@H]1[C@H]1CNC[C@H]12
InChIInChI=1S/C9H16N2/c1-11-8-2-3-9(11)7-5-10-4-6(7)8/h6-10H,2-5H2,1H3/t6-,7+,8-,9+
InChIKeyBRULRIFZNCHLMK-SPJNRGJMSA-N
MW152.24 g/mol
LogP0.30
Rot. Bonds

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

(1R,2S,6R,7S)-10-methyl-4,10-diazatricyclo[5.2.1.02,6]decane (PubChem CID 131034211) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is (1R,2S,6R,7S)-10-methyl-4,10-diazatricyclo[5.2.1.02,6]decane.

Molecular Properties

Compound Name(1R,2S,6R,7S)-10-methyl-4,10-diazatricyclo[5.2.1.02,6]decane
PubChem CID131034211
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name(1R,2S,6R,7S)-10-methyl-4,10-diazatricyclo[5.2.1.02,6]decane
SMILESCN1[C@@H]2CC[C@H]1[C@H]1CNC[C@H]12
InChIInChI=1S/C9H16N2/c1-11-8-2-3-9(11)7-5-10-4-6(7)8/h6-10H,2-5H2,1H3/t6-,7+,8-,9+
InChIKeyBRULRIFZNCHLMK-SPJNRGJMSA-N
XLogP0.30
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,2S,6R,7S)-10-methyl-4,10-diazatricyclo[5.2.1.02,6]decane?
The IUPAC name of (1R,2S,6R,7S)-10-methyl-4,10-diazatricyclo[5.2.1.02,6]decane (CID 131034211) is (1R,2S,6R,7S)-10-methyl-4,10-diazatricyclo[5.2.1.02,6]decane.
What is the SMILES notation for (1R,2S,6R,7S)-10-methyl-4,10-diazatricyclo[5.2.1.02,6]decane?
The canonical SMILES for (1R,2S,6R,7S)-10-methyl-4,10-diazatricyclo[5.2.1.02,6]decane is CN1[C@@H]2CC[C@H]1[C@H]1CNC[C@H]12.
What is the InChIKey of (1R,2S,6R,7S)-10-methyl-4,10-diazatricyclo[5.2.1.02,6]decane?
The InChIKey is BRULRIFZNCHLMK-SPJNRGJMSA-N. The full InChI is InChI=1S/C9H16N2/c1-11-8-2-3-9(11)7-5-10-4-6(7)8/h6-10H,2-5H2,1H3/t6-,7+,8-,9+.
What are the key properties of (1R,2S,6R,7S)-10-methyl-4,10-diazatricyclo[5.2.1.02,6]decane?
(1R,2S,6R,7S)-10-methyl-4,10-diazatricyclo[5.2.1.02,6]decane has a molecular weight of 152.24 g/mol, XLogP of 0.30, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,6R,7S)-10-methyl-4,10-diazatricyclo[5.2.1.02,6]decane is sourced from PubChem (CID 131034211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).