1,10,10-trimethyl-5-naphthalen-1-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene

C21H22N2 — CID 140903797

IUPAC1,10,10-trimethyl-5-naphthalen-1-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene
SMILESCC12CCC(c3c(-c4cccc5ccccc45)n[nH]c31)C2(C)C
InChIInChI=1S/C21H22N2/c1-20(2)16-11-12-21(20,3)19-17(16)18(22-23-19)15-10-6-8-13-7-4-5-9-14(13)15/h4-10,16H,11-12H2,1-3H3,(H,22,23)
InChIKeyYJOCVSLHQPSQPH-UHFFFAOYSA-N
MW302.42 g/mol
LogP5.40
Rot. Bonds1

About 1,10,10-trimethyl-5-naphthalen-1-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene

1,10,10-trimethyl-5-naphthalen-1-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene (PubChem CID 140903797) has the molecular formula C21H22N2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 1,10,10-trimethyl-5-naphthalen-1-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene.

Molecular Properties

Compound Name1,10,10-trimethyl-5-naphthalen-1-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene
PubChem CID140903797
Molecular FormulaC21H22N2
Molecular Weight302.42 g/mol
Exact Mass302.18
IUPAC Name1,10,10-trimethyl-5-naphthalen-1-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene
SMILESCC12CCC(c3c(-c4cccc5ccccc45)n[nH]c31)C2(C)C
InChIInChI=1S/C21H22N2/c1-20(2)16-11-12-21(20,3)19-17(16)18(22-23-19)15-10-6-8-13-7-4-5-9-14(13)15/h4-10,16H,11-12H2,1-3H3,(H,22,23)
InChIKeyYJOCVSLHQPSQPH-UHFFFAOYSA-N
XLogP5.40
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.42
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,10,10-trimethyl-5-quinazolin-2-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene
CID 123511205
[2-(1,10,10-trimethyl-3,5-diazatricyclo[5.2.1.02,6]deca-2(6),3-dien-4-yl)phenyl]methanamine
CID 103386651
1,11,11-trimethyl-6-(2-methylphenyl)-3,5-diazatricyclo[6.2.1.02,7]undeca-2,4,6-trien-4-amine
CID 150532815
9,9,10,10-tetramethyl-2,6-dinaphthalen-1-ylanthracene
CID 59649099
3-isoquinolin-1-yl-7,10,10-trimethyl-4,5-diaza-2-azoniatricyclo[5.2.1.02,6]deca-2(6),3-diene
CID 162037826
7-(9,10-dinaphthalen-2-ylanthracen-2-yl)-1,15,15-trimethyl-3,10-diphenyltetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene
CID 58831228
16,19,19-trimethyl-10,12,14-triazapentacyclo[14.2.1.02,15.03,11.04,9]nonadeca-2,4,6,8,11,14-hexaen-13-one
CID 136744085
1-[2-(2,2-dimethylcyclopropyl)phenyl]naphthalene
CID 175297840
2-(1,10,10-trimethyl-3,5-diazatricyclo[5.2.1.02,6]deca-2(6),3-dien-4-yl)aniline
CID 103386655
5-isoquinolin-1-yl-10,10-dimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene;5-isoquinolin-1-yl-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene;platinum(2+)
CID 140752743
5-isoquinolin-1-yl-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene;5-isoquinolin-1-yl-1,10,10-trimethyl-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene;platinum(2+)
CID 140635955
4-(5-naphthalen-1-yl-2H-triazol-4-yl)aniline
CID 57312525

Frequently Asked Questions

What is the IUPAC name of 1,10,10-trimethyl-5-naphthalen-1-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene?
The IUPAC name of 1,10,10-trimethyl-5-naphthalen-1-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene (CID 140903797) is 1,10,10-trimethyl-5-naphthalen-1-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene.
What is the SMILES notation for 1,10,10-trimethyl-5-naphthalen-1-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene?
The canonical SMILES for 1,10,10-trimethyl-5-naphthalen-1-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene is CC12CCC(c3c(-c4cccc5ccccc45)n[nH]c31)C2(C)C.
What is the InChIKey of 1,10,10-trimethyl-5-naphthalen-1-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene?
The InChIKey is YJOCVSLHQPSQPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2/c1-20(2)16-11-12-21(20,3)19-17(16)18(22-23-19)15-10-6-8-13-7-4-5-9-14(13)15/h4-10,16H,11-12H2,1-3H3,(H,22,23).
What are the key properties of 1,10,10-trimethyl-5-naphthalen-1-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene?
1,10,10-trimethyl-5-naphthalen-1-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene has a molecular weight of 302.42 g/mol, XLogP of 5.40, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,10,10-trimethyl-5-naphthalen-1-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene is sourced from PubChem (CID 140903797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).