(1R,3S,6R,8S)-2-benzyl-2,7-diazatricyclo[4.4.0.03,8]decane

C15H20N2 — CID 124677901

IUPAC(1R,3S,6R,8S)-2-benzyl-2,7-diazatricyclo[4.4.0.03,8]decane
SMILESc1ccc(CN2[C@@H]3CC[C@@H]4N[C@@H]3CC[C@@H]42)cc1
InChIInChI=1S/C15H20N2/c1-2-4-11(5-3-1)10-17-14-8-6-12-15(17)9-7-13(14)16-12/h1-5,12-16H,6-10H2/t12-,13+,14+,15-
InChIKeyHEZWRUYVMHWPAQ-PYHGIMPFSA-N
MW228.34 g/mol
LogP2.15
Rot. Bonds2

About (1R,3S,6R,8S)-2-benzyl-2,7-diazatricyclo[4.4.0.03,8]decane

(1R,3S,6R,8S)-2-benzyl-2,7-diazatricyclo[4.4.0.03,8]decane (PubChem CID 124677901) has the molecular formula C15H20N2 and a molecular weight of 228.34 g/mol. Its IUPAC name is (1R,3S,6R,8S)-2-benzyl-2,7-diazatricyclo[4.4.0.03,8]decane.

Molecular Properties

Compound Name(1R,3S,6R,8S)-2-benzyl-2,7-diazatricyclo[4.4.0.03,8]decane
PubChem CID124677901
Molecular FormulaC15H20N2
Molecular Weight228.34 g/mol
Exact Mass228.16
IUPAC Name(1R,3S,6R,8S)-2-benzyl-2,7-diazatricyclo[4.4.0.03,8]decane
SMILESc1ccc(CN2[C@@H]3CC[C@@H]4N[C@@H]3CC[C@@H]42)cc1
InChIInChI=1S/C15H20N2/c1-2-4-11(5-3-1)10-17-14-8-6-12-15(17)9-7-13(14)16-12/h1-5,12-16H,6-10H2/t12-,13+,14+,15-
InChIKeyHEZWRUYVMHWPAQ-PYHGIMPFSA-N
XLogP2.15
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1R,3S,6R,8S)-2-benzyl-2,7-diazatricyclo[4.4.0.03,8]decane with MolForge

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Related Compounds

9-benzyl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazole
CID 102364241
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CID 10751259
(1R,5S)-8-benzyl-8-azabicyclo[3.2.1]octane
CID 67134573
(1R,6S)-9-benzyl-3,9-diazabicyclo[4.2.1]nonane
CID 51893403
(1S,5S)-2-azido-9-benzyl-6-bromo-9-azabicyclo[3.3.1]nonane
CID 10520770
8-benzyl-3,8-diazabicyclo[3.2.1]octane-2,4-dione
CID 53484443
(1S,5S)-3-benzyl-3,6-diazabicyclo[3.1.1]heptane
CID 98061344
2,4-dibenzyl-2,4-diazabicyclo[3.2.0]heptan-3-one
CID 86091539
(1R,6R)-10-benzyl-3,10-diazabicyclo[4.3.1]decane
CID 98049755
(2S)-1-benzylpyrrolidine-2,5-dicarboxylic acid
CID 175511692
(1R,5S)-8-benzyl-3-chloro-8-azabicyclo[3.2.1]octane
CID 13382844
2-(8-benzyl-3-hydroxy-8-azabicyclo[3.2.1]octan-2-yl)acetic acid
CID 83489066

Frequently Asked Questions

What is the IUPAC name of (1R,3S,6R,8S)-2-benzyl-2,7-diazatricyclo[4.4.0.03,8]decane?
The IUPAC name of (1R,3S,6R,8S)-2-benzyl-2,7-diazatricyclo[4.4.0.03,8]decane (CID 124677901) is (1R,3S,6R,8S)-2-benzyl-2,7-diazatricyclo[4.4.0.03,8]decane.
What is the SMILES notation for (1R,3S,6R,8S)-2-benzyl-2,7-diazatricyclo[4.4.0.03,8]decane?
The canonical SMILES for (1R,3S,6R,8S)-2-benzyl-2,7-diazatricyclo[4.4.0.03,8]decane is c1ccc(CN2[C@@H]3CC[C@@H]4N[C@@H]3CC[C@@H]42)cc1.
What is the InChIKey of (1R,3S,6R,8S)-2-benzyl-2,7-diazatricyclo[4.4.0.03,8]decane?
The InChIKey is HEZWRUYVMHWPAQ-PYHGIMPFSA-N. The full InChI is InChI=1S/C15H20N2/c1-2-4-11(5-3-1)10-17-14-8-6-12-15(17)9-7-13(14)16-12/h1-5,12-16H,6-10H2/t12-,13+,14+,15-.
What are the key properties of (1R,3S,6R,8S)-2-benzyl-2,7-diazatricyclo[4.4.0.03,8]decane?
(1R,3S,6R,8S)-2-benzyl-2,7-diazatricyclo[4.4.0.03,8]decane has a molecular weight of 228.34 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3S,6R,8S)-2-benzyl-2,7-diazatricyclo[4.4.0.03,8]decane is sourced from PubChem (CID 124677901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).