1,11,11-trimethyl-6-(2-methylphenyl)-3,5-diazatricyclo[6.2.1.02,7]undeca-2,4,6-trien-4-amine

C19H23N3 — CID 150532815

IUPAC1,11,11-trimethyl-6-(2-methylphenyl)-3,5-diazatricyclo[6.2.1.02,7]undeca-2,4,6-trien-4-amine
SMILESCc1ccccc1-c1nc(N)nc2c1C1CCC2(C)C1(C)C
InChIInChI=1S/C19H23N3/c1-11-7-5-6-8-12(11)15-14-13-9-10-19(4,18(13,2)3)16(14)22-17(20)21-15/h5-8,13H,9-10H2,1-4H3,(H2,20,21,22)
InChIKeyIEEYQQCBTSVACW-UHFFFAOYSA-N
MW293.41 g/mol
LogP4.21
Rot. Bonds1

About 1,11,11-trimethyl-6-(2-methylphenyl)-3,5-diazatricyclo[6.2.1.02,7]undeca-2,4,6-trien-4-amine

1,11,11-trimethyl-6-(2-methylphenyl)-3,5-diazatricyclo[6.2.1.02,7]undeca-2,4,6-trien-4-amine (PubChem CID 150532815) has the molecular formula C19H23N3 and a molecular weight of 293.41 g/mol. Its IUPAC name is 1,11,11-trimethyl-6-(2-methylphenyl)-3,5-diazatricyclo[6.2.1.02,7]undeca-2,4,6-trien-4-amine.

Molecular Properties

Compound Name1,11,11-trimethyl-6-(2-methylphenyl)-3,5-diazatricyclo[6.2.1.02,7]undeca-2,4,6-trien-4-amine
PubChem CID150532815
Molecular FormulaC19H23N3
Molecular Weight293.41 g/mol
Exact Mass293.19
IUPAC Name1,11,11-trimethyl-6-(2-methylphenyl)-3,5-diazatricyclo[6.2.1.02,7]undeca-2,4,6-trien-4-amine
SMILESCc1ccccc1-c1nc(N)nc2c1C1CCC2(C)C1(C)C
InChIInChI=1S/C19H23N3/c1-11-7-5-6-8-12(11)15-14-13-9-10-19(4,18(13,2)3)16(14)22-17(20)21-15/h5-8,13H,9-10H2,1-4H3,(H2,20,21,22)
InChIKeyIEEYQQCBTSVACW-UHFFFAOYSA-N
XLogP4.21
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1,10,10-trimethyl-3,5-diazatricyclo[5.2.1.02,6]deca-2(6),3-dien-4-yl)aniline
CID 103386655
[2-(1,10,10-trimethyl-3,5-diazatricyclo[5.2.1.02,6]deca-2(6),3-dien-4-yl)phenyl]methanamine
CID 103386651
4-(3,5-dimethylpiperidin-1-yl)-1,11,11-trimethyl-6-phenyl-3,5-diazatricyclo[6.2.1.02,7]undeca-2,4,6-triene
CID 66492613
6-(2-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 2730671
1,10,10-trimethyl-5-naphthalen-1-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene
CID 140903797
6,7-dimethoxy-4-(2-methylphenyl)quinazolin-2-amine
CID 70192475
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
(1R,7S)-1,10,10-trimethyl-5-[6-[(1R,7S)-1,10,10-trimethyl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-dien-5-yl]-2-pyridinyl]-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene
CID 177485125
(16R)-1,5,19,19-tetramethyl-3,13-diazapentacyclo[14.2.1.02,15.03,12.06,11]nonadeca-2(15),4,6,8,10,12-hexaen-14-one
CID 90254148
2,3-dimethyl-5-(2-methylphenyl)imidazol-4-amine
CID 62225946
(1R,5R)-1,8,8-trimethyl-3-(2-methylphenyl)-3-azabicyclo[3.2.1]octane-2,4-dione
CID 21139289
10-[5-[1-(iodomethyl)-2,2,3,3-tetramethyl-1H-cyclopenta[c]quinolin-4-yl]naphthalen-1-yl]-12,15,15-trimethyl-9-azatetracyclo[10.2.1.02,11.03,8]pentadeca-2(11),3,5,7,9-pentaene
CID 137482498

Frequently Asked Questions

What is the IUPAC name of 1,11,11-trimethyl-6-(2-methylphenyl)-3,5-diazatricyclo[6.2.1.02,7]undeca-2,4,6-trien-4-amine?
The IUPAC name of 1,11,11-trimethyl-6-(2-methylphenyl)-3,5-diazatricyclo[6.2.1.02,7]undeca-2,4,6-trien-4-amine (CID 150532815) is 1,11,11-trimethyl-6-(2-methylphenyl)-3,5-diazatricyclo[6.2.1.02,7]undeca-2,4,6-trien-4-amine.
What is the SMILES notation for 1,11,11-trimethyl-6-(2-methylphenyl)-3,5-diazatricyclo[6.2.1.02,7]undeca-2,4,6-trien-4-amine?
The canonical SMILES for 1,11,11-trimethyl-6-(2-methylphenyl)-3,5-diazatricyclo[6.2.1.02,7]undeca-2,4,6-trien-4-amine is Cc1ccccc1-c1nc(N)nc2c1C1CCC2(C)C1(C)C.
What is the InChIKey of 1,11,11-trimethyl-6-(2-methylphenyl)-3,5-diazatricyclo[6.2.1.02,7]undeca-2,4,6-trien-4-amine?
The InChIKey is IEEYQQCBTSVACW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3/c1-11-7-5-6-8-12(11)15-14-13-9-10-19(4,18(13,2)3)16(14)22-17(20)21-15/h5-8,13H,9-10H2,1-4H3,(H2,20,21,22).
What are the key properties of 1,11,11-trimethyl-6-(2-methylphenyl)-3,5-diazatricyclo[6.2.1.02,7]undeca-2,4,6-trien-4-amine?
1,11,11-trimethyl-6-(2-methylphenyl)-3,5-diazatricyclo[6.2.1.02,7]undeca-2,4,6-trien-4-amine has a molecular weight of 293.41 g/mol, XLogP of 4.21, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,11,11-trimethyl-6-(2-methylphenyl)-3,5-diazatricyclo[6.2.1.02,7]undeca-2,4,6-trien-4-amine is sourced from PubChem (CID 150532815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).