(2R,6R)-4-(cyclohexylmethyl)-12-methyl-1,4,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-9,11-diene

C16H26N4 — CID 92565924

IUPAC(2R,6R)-4-(cyclohexylmethyl)-12-methyl-1,4,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-9,11-diene
SMILESCc1nnc2n1[C@H]1CN(CC3CCCCC3)C[C@H]1CC2
InChIInChI=1S/C16H26N4/c1-12-17-18-16-8-7-14-10-19(11-15(14)20(12)16)9-13-5-3-2-4-6-13/h13-15H,2-11H2,1H3/t14-,15+/m1/s1
InChIKeyIKCHVKAIYUJMEP-CABCVRRESA-N
MW274.41 g/mol
LogP2.59
Rot. Bonds2

About (2R,6R)-4-(cyclohexylmethyl)-12-methyl-1,4,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-9,11-diene

(2R,6R)-4-(cyclohexylmethyl)-12-methyl-1,4,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-9,11-diene (PubChem CID 92565924) has the molecular formula C16H26N4 and a molecular weight of 274.41 g/mol. Its IUPAC name is (2R,6R)-4-(cyclohexylmethyl)-12-methyl-1,4,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-9,11-diene.

Molecular Properties

Compound Name(2R,6R)-4-(cyclohexylmethyl)-12-methyl-1,4,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-9,11-diene
PubChem CID92565924
Molecular FormulaC16H26N4
Molecular Weight274.41 g/mol
Exact Mass274.22
IUPAC Name(2R,6R)-4-(cyclohexylmethyl)-12-methyl-1,4,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-9,11-diene
SMILESCc1nnc2n1[C@H]1CN(CC3CCCCC3)C[C@H]1CC2
InChIInChI=1S/C16H26N4/c1-12-17-18-16-8-7-14-10-19(11-15(14)20(12)16)9-13-5-3-2-4-6-13/h13-15H,2-11H2,1H3/t14-,15+/m1/s1
InChIKeyIKCHVKAIYUJMEP-CABCVRRESA-N
XLogP2.59
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,6R)-12-methyl-4-(pyridin-4-ylmethyl)-1,4,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-9,11-diene
CID 92565932
(2R,6R)-12-methyl-4-[(3-methylphenyl)methyl]-1,4,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-9,11-diene
CID 92560886
(2R,6R)-12-methyl-4-(thiophen-2-ylmethyl)-1,4,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-9,11-diene
CID 92565931
(2R,6R)-4-[(2-fluorophenyl)methyl]-12-methyl-1,4,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-9,11-diene
CID 92565928
3-(cyclohexylmethyl)-3-azabicyclo[3.1.0]hexane
CID 139380854
(3aR,6aS)-2-(cyclohexylmethyl)-N-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine
CID 142563547
2-(cyclohexylmethyl)-5-(5-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 126933958
(3-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-5-yl)methanol
CID 147030304
(2R,6R)-12-pyridin-3-yl-4-(pyridin-3-ylmethyl)-1,4,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-9,11-diene
CID 92570708
(2R,6R)-4-[(3S)-3-phenylbutyl]-12-pyridin-4-yl-1,4,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-9,11-diene
CID 92581864
(3aS,5S,6S,7aR)-2-(cyclobutylmethyl)-6-(2-methylbenzimidazol-1-yl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol
CID 171156064
3-methyl-5-(2-methylpropyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole
CID 170928537

Frequently Asked Questions

What is the IUPAC name of (2R,6R)-4-(cyclohexylmethyl)-12-methyl-1,4,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-9,11-diene?
The IUPAC name of (2R,6R)-4-(cyclohexylmethyl)-12-methyl-1,4,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-9,11-diene (CID 92565924) is (2R,6R)-4-(cyclohexylmethyl)-12-methyl-1,4,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-9,11-diene.
What is the SMILES notation for (2R,6R)-4-(cyclohexylmethyl)-12-methyl-1,4,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-9,11-diene?
The canonical SMILES for (2R,6R)-4-(cyclohexylmethyl)-12-methyl-1,4,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-9,11-diene is Cc1nnc2n1[C@H]1CN(CC3CCCCC3)C[C@H]1CC2.
What is the InChIKey of (2R,6R)-4-(cyclohexylmethyl)-12-methyl-1,4,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-9,11-diene?
The InChIKey is IKCHVKAIYUJMEP-CABCVRRESA-N. The full InChI is InChI=1S/C16H26N4/c1-12-17-18-16-8-7-14-10-19(11-15(14)20(12)16)9-13-5-3-2-4-6-13/h13-15H,2-11H2,1H3/t14-,15+/m1/s1.
What are the key properties of (2R,6R)-4-(cyclohexylmethyl)-12-methyl-1,4,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-9,11-diene?
(2R,6R)-4-(cyclohexylmethyl)-12-methyl-1,4,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-9,11-diene has a molecular weight of 274.41 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6R)-4-(cyclohexylmethyl)-12-methyl-1,4,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-9,11-diene is sourced from PubChem (CID 92565924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).