[2-(1,10,10-trimethyl-3,5-diazatricyclo[5.2.1.02,6]deca-2(6),3-dien-4-yl)phenyl]methanamine

C18H23N3 — CID 103386651

IUPAC[2-(1,10,10-trimethyl-3,5-diazatricyclo[5.2.1.02,6]deca-2(6),3-dien-4-yl)phenyl]methanamine
SMILESCC12CCC(c3[nH]c(-c4ccccc4CN)nc31)C2(C)C
InChIInChI=1S/C18H23N3/c1-17(2)13-8-9-18(17,3)15-14(13)20-16(21-15)12-7-5-4-6-11(12)10-19/h4-7,13H,8-10,19H2,1-3H3,(H,20,21)
InChIKeySIAVSHBAPOXHJD-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.71
Rot. Bonds2

About [2-(1,10,10-trimethyl-3,5-diazatricyclo[5.2.1.02,6]deca-2(6),3-dien-4-yl)phenyl]methanamine

[2-(1,10,10-trimethyl-3,5-diazatricyclo[5.2.1.02,6]deca-2(6),3-dien-4-yl)phenyl]methanamine (PubChem CID 103386651) has the molecular formula C18H23N3 and a molecular weight of 281.40 g/mol. Its IUPAC name is [2-(1,10,10-trimethyl-3,5-diazatricyclo[5.2.1.02,6]deca-2(6),3-dien-4-yl)phenyl]methanamine.

Molecular Properties

Compound Name[2-(1,10,10-trimethyl-3,5-diazatricyclo[5.2.1.02,6]deca-2(6),3-dien-4-yl)phenyl]methanamine
PubChem CID103386651
Molecular FormulaC18H23N3
Molecular Weight281.40 g/mol
Exact Mass281.19
IUPAC Name[2-(1,10,10-trimethyl-3,5-diazatricyclo[5.2.1.02,6]deca-2(6),3-dien-4-yl)phenyl]methanamine
SMILESCC12CCC(c3[nH]c(-c4ccccc4CN)nc31)C2(C)C
InChIInChI=1S/C18H23N3/c1-17(2)13-8-9-18(17,3)15-14(13)20-16(21-15)12-7-5-4-6-11(12)10-19/h4-7,13H,8-10,19H2,1-3H3,(H,20,21)
InChIKeySIAVSHBAPOXHJD-UHFFFAOYSA-N
XLogP3.71
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [2-(1,10,10-trimethyl-3,5-diazatricyclo[5.2.1.02,6]deca-2(6),3-dien-4-yl)phenyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
1,11,11-trimethyl-6-(2-methylphenyl)-3,5-diazatricyclo[6.2.1.02,7]undeca-2,4,6-trien-4-amine
CID 150532815
[2-(5-methyl-4-phenyl-1H-imidazol-2-yl)phenyl]methanamine
CID 103386817
1,10,10-trimethyl-5-naphthalen-1-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene
CID 140903797
1,10,10-trimethyl-4-pyrrolidin-2-yl-3,5-diazatricyclo[5.2.1.02,6]deca-2(6),3-diene
CID 102969993
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
[2-(2-methyl-1H-imidazol-5-yl)phenyl]methanamine
CID 105442686
[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methanamine
CID 68946909
[2-(2,3,4-trifluorophenyl)-1H-benzimidazol-4-yl]methanamine
CID 104721024
5,6-dichloro-2-(2-ethylphenyl)-1H-benzimidazole
CID 82003787
(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
(1R,8S)-1,11,11-trimethyl-3,4,6-triazatricyclo[6.2.1.02,7]undeca-2,6-diene-5-thione
CID 40559232

Frequently Asked Questions

What is the IUPAC name of [2-(1,10,10-trimethyl-3,5-diazatricyclo[5.2.1.02,6]deca-2(6),3-dien-4-yl)phenyl]methanamine?
The IUPAC name of [2-(1,10,10-trimethyl-3,5-diazatricyclo[5.2.1.02,6]deca-2(6),3-dien-4-yl)phenyl]methanamine (CID 103386651) is [2-(1,10,10-trimethyl-3,5-diazatricyclo[5.2.1.02,6]deca-2(6),3-dien-4-yl)phenyl]methanamine.
What is the SMILES notation for [2-(1,10,10-trimethyl-3,5-diazatricyclo[5.2.1.02,6]deca-2(6),3-dien-4-yl)phenyl]methanamine?
The canonical SMILES for [2-(1,10,10-trimethyl-3,5-diazatricyclo[5.2.1.02,6]deca-2(6),3-dien-4-yl)phenyl]methanamine is CC12CCC(c3[nH]c(-c4ccccc4CN)nc31)C2(C)C.
What is the InChIKey of [2-(1,10,10-trimethyl-3,5-diazatricyclo[5.2.1.02,6]deca-2(6),3-dien-4-yl)phenyl]methanamine?
The InChIKey is SIAVSHBAPOXHJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3/c1-17(2)13-8-9-18(17,3)15-14(13)20-16(21-15)12-7-5-4-6-11(12)10-19/h4-7,13H,8-10,19H2,1-3H3,(H,20,21).
What are the key properties of [2-(1,10,10-trimethyl-3,5-diazatricyclo[5.2.1.02,6]deca-2(6),3-dien-4-yl)phenyl]methanamine?
[2-(1,10,10-trimethyl-3,5-diazatricyclo[5.2.1.02,6]deca-2(6),3-dien-4-yl)phenyl]methanamine has a molecular weight of 281.40 g/mol, XLogP of 3.71, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,10,10-trimethyl-3,5-diazatricyclo[5.2.1.02,6]deca-2(6),3-dien-4-yl)phenyl]methanamine is sourced from PubChem (CID 103386651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).