2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane

C16H22N4 — CID 22102285

IUPAC2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane
SMILESc1ccc2c(c1)CCCC2C1N2CN3CN(C2)CN1C3
InChIInChI=1S/C16H22N4/c1-2-6-14-13(4-1)5-3-7-15(14)16-19-9-17-8-18(11-19)12-20(16)10-17/h1-2,4,6,15-16H,3,5,7-12H2
InChIKeyNSCXTCNRESIPAH-UHFFFAOYSA-N
MW270.38 g/mol
LogP1.47
Rot. Bonds1

About 2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane

2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane (PubChem CID 22102285) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane.

Molecular Properties

Compound Name2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane
PubChem CID22102285
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane
SMILESc1ccc2c(c1)CCCC2C1N2CN3CN(C2)CN1C3
InChIInChI=1S/C16H22N4/c1-2-6-14-13(4-1)5-3-7-15(14)16-19-9-17-8-18(11-19)12-20(16)10-17/h1-2,4,6,15-16H,3,5,7-12H2
InChIKeyNSCXTCNRESIPAH-UHFFFAOYSA-N
XLogP1.47
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclohex-2-en-1-yl-1,2,3,4-tetrahydronaphthalene
CID 123727569
1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine
CID 122364481
2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidine
CID 13350945
2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
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(5R,6R)-5,6-dibromo-6,7,8,9-tetrahydro-5H-benzo[7]annulene
CID 10881240
1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine
CID 141000985
4-methyl-2-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-2H-furan-5-one
CID 90721779
CID 59863888
CID 59863888
1,2,3,4-tetrahydronaphthalen-1-ol
CID 10723
1-cyclopentyl-1,2,3,4-tetrahydronaphthalene;pentane
CID 158506578
2-(1,2,3,4-tetrahydronaphthalen-1-yl)azepane
CID 55111676
2-amino-1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidin-1-yl]ethanone;hydrochloride
CID 86813621

Frequently Asked Questions

What is the IUPAC name of 2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane?
The IUPAC name of 2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane (CID 22102285) is 2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane.
What is the SMILES notation for 2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane?
The canonical SMILES for 2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane is c1ccc2c(c1)CCCC2C1N2CN3CN(C2)CN1C3.
What is the InChIKey of 2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane?
The InChIKey is NSCXTCNRESIPAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-2-6-14-13(4-1)5-3-7-15(14)16-19-9-17-8-18(11-19)12-20(16)10-17/h1-2,4,6,15-16H,3,5,7-12H2.
What are the key properties of 2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane?
2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane has a molecular weight of 270.38 g/mol, XLogP of 1.47, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane is sourced from PubChem (CID 22102285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).