N-(2,3-dimethylphenyl)-4,9-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),13(17),14-trien-15-amine

C23H29N3 — CID 142156168

IUPACN-(2,3-dimethylphenyl)-4,9-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),13(17),14-trien-15-amine
SMILESCc1cccc(Nc2cc3c4c(c2)C2CNCCC2CN4CCC3)c1C
InChIInChI=1S/C23H29N3/c1-15-5-3-7-22(16(15)2)25-19-11-17-6-4-10-26-14-18-8-9-24-13-21(18)20(12-19)23(17)26/h3,5,7,11-12,18,21,24-25H,4,6,8-10,13-14H2,1-2H3
InChIKeyXIHWNPNNXTUAIP-UHFFFAOYSA-N
MW347.51 g/mol
LogP4.51
Rot. Bonds2

About N-(2,3-dimethylphenyl)-4,9-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),13(17),14-trien-15-amine

N-(2,3-dimethylphenyl)-4,9-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),13(17),14-trien-15-amine (PubChem CID 142156168) has the molecular formula C23H29N3 and a molecular weight of 347.51 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-4,9-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),13(17),14-trien-15-amine.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-4,9-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),13(17),14-trien-15-amine
PubChem CID142156168
Molecular FormulaC23H29N3
Molecular Weight347.51 g/mol
Exact Mass347.24
IUPAC NameN-(2,3-dimethylphenyl)-4,9-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),13(17),14-trien-15-amine
SMILESCc1cccc(Nc2cc3c4c(c2)C2CNCCC2CN4CCC3)c1C
InChIInChI=1S/C23H29N3/c1-15-5-3-7-22(16(15)2)25-19-11-17-6-4-10-26-14-18-8-9-24-13-21(18)20(12-19)23(17)26/h3,5,7,11-12,18,21,24-25H,4,6,8-10,13-14H2,1-2H3
InChIKeyXIHWNPNNXTUAIP-UHFFFAOYSA-N
XLogP4.51
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.51
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze N-(2,3-dimethylphenyl)-4,9-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),13(17),14-trien-15-amine 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

(2R,7R)-5,9-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),13(17),14-triene;dihydrochloride
CID 172765644
(2S,6S)-N-(2,4-dichlorophenyl)-4,8-diazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(14),11(15),12-trien-13-amine
CID 68523009
(10R,14R)-N-[2-chloro-5-(trifluoromethyl)phenyl]-1,12-diazatetracyclo[7.6.1.05,16.010,14]hexadeca-5(16),6,8-trien-7-amine;1,1,1,4,4,4-hexafluorobutane-2,3-dione
CID 157093141
(10R,14R)-N-(3,4-dichlorophenyl)-1,12-diazatetracyclo[7.6.1.05,16.010,14]hexadeca-5(16),6,8-trien-7-amine;1,1,1,4,4,4-hexafluorobutane-2,3-dione
CID 159166121
10,14-diazatetracyclo[8.6.1.05,17.012,16]heptadeca-1,3,5(17)-triene;1,12-diazatetracyclo[7.6.1.05,16.010,14]hexadeca-5(16),6,8-triene
CID 162018965
7-(4-methoxy-2-methylphenyl)-1,12-diazatetracyclo[7.6.1.05,16.010,14]hexadeca-5(16),6,8-triene
CID 23498553
(10S,14S)-7-(2,3-dichlorophenyl)-1,12-diazatetracyclo[7.6.1.05,16.010,14]hexadeca-5(16),6,8-triene
CID 23518399
(2S,6S)-N-benzyl-4,8-diazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(14),11(15),12-trien-13-amine
CID 68523002
7-pyrrolidin-3-yl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene
CID 116993219
N-(2,3-dimethylphenyl)-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112926175
(9bR)-N-(2-methoxyphenyl)-5-methyl-6-(trifluoromethyl)-1,2,3,4,4a,9b-hexahydropyrido[4,3-b]indol-8-amine
CID 142913578
N-(2,3-dimethylphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119670575

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-4,9-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),13(17),14-trien-15-amine?
The IUPAC name of N-(2,3-dimethylphenyl)-4,9-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),13(17),14-trien-15-amine (CID 142156168) is N-(2,3-dimethylphenyl)-4,9-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),13(17),14-trien-15-amine.
What is the SMILES notation for N-(2,3-dimethylphenyl)-4,9-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),13(17),14-trien-15-amine?
The canonical SMILES for N-(2,3-dimethylphenyl)-4,9-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),13(17),14-trien-15-amine is Cc1cccc(Nc2cc3c4c(c2)C2CNCCC2CN4CCC3)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-4,9-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),13(17),14-trien-15-amine?
The InChIKey is XIHWNPNNXTUAIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3/c1-15-5-3-7-22(16(15)2)25-19-11-17-6-4-10-26-14-18-8-9-24-13-21(18)20(12-19)23(17)26/h3,5,7,11-12,18,21,24-25H,4,6,8-10,13-14H2,1-2H3.
What are the key properties of N-(2,3-dimethylphenyl)-4,9-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),13(17),14-trien-15-amine?
N-(2,3-dimethylphenyl)-4,9-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),13(17),14-trien-15-amine has a molecular weight of 347.51 g/mol, XLogP of 4.51, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-4,9-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),13(17),14-trien-15-amine is sourced from PubChem (CID 142156168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).