4-ethyl-11,13-dimethyl-N-(3-morpholin-4-ylpropyl)-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaen-6-amine

C20H28N6O — CID 16669291

IUPAC4-ethyl-11,13-dimethyl-N-(3-morpholin-4-ylpropyl)-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaen-6-amine
SMILESCCc1cc(NCCCN2CCOCC2)n2nc3nc(C)cc(C)c3c2n1
InChIInChI=1S/C20H28N6O/c1-4-16-13-17(21-6-5-7-25-8-10-27-11-9-25)26-20(23-16)18-14(2)12-15(3)22-19(18)24-26/h12-13,21H,4-11H2,1-3H3
InChIKeyLVFZBIVQCDGXAR-UHFFFAOYSA-N
MW368.49 g/mol
LogP2.59
Rot. Bonds6

About 4-ethyl-11,13-dimethyl-N-(3-morpholin-4-ylpropyl)-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaen-6-amine

4-ethyl-11,13-dimethyl-N-(3-morpholin-4-ylpropyl)-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaen-6-amine (PubChem CID 16669291) has the molecular formula C20H28N6O and a molecular weight of 368.49 g/mol. Its IUPAC name is 4-ethyl-11,13-dimethyl-N-(3-morpholin-4-ylpropyl)-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaen-6-amine.

Molecular Properties

Compound Name4-ethyl-11,13-dimethyl-N-(3-morpholin-4-ylpropyl)-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaen-6-amine
PubChem CID16669291
Molecular FormulaC20H28N6O
Molecular Weight368.49 g/mol
Exact Mass368.23
IUPAC Name4-ethyl-11,13-dimethyl-N-(3-morpholin-4-ylpropyl)-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaen-6-amine
SMILESCCc1cc(NCCCN2CCOCC2)n2nc3nc(C)cc(C)c3c2n1
InChIInChI=1S/C20H28N6O/c1-4-16-13-17(21-6-5-7-25-8-10-27-11-9-25)26-20(23-16)18-14(2)12-15(3)22-19(18)24-26/h12-13,21H,4-11H2,1-3H3
InChIKeyLVFZBIVQCDGXAR-UHFFFAOYSA-N
XLogP2.59
TPSA67.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.49
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-ethyl-11,13-dimethyl-N-(3-morpholin-4-ylpropyl)-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaen-6-amine with MolForge

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Related Compounds

3-[(4-ethyl-11,13-dimethyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaen-6-yl)amino]propan-1-ol
CID 95833645
N-(3-imidazol-1-ylpropyl)-4,11,13-trimethyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaen-6-amine
CID 666095
N-(2-methoxyethyl)-4,11,13-trimethyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaen-6-amine
CID 667392
6-methyl-2-(3-morpholin-4-ylpropylamino)pyrimidine-4-carbonitrile
CID 107543599
11,13-dimethyl-N-(4-methylphenyl)-4-propyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaen-6-amine
CID 4975880
2,4-dimethyl-6-(3-morpholin-4-ylpropylamino)pyridine-3-carbonitrile
CID 162638269
2-(2-methoxyphenyl)-5-methyl-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyrimidin-7-amine;hydrochloride
CID 146052228
5,7-dimethyl-N-(3-morpholin-4-ylpropyl)-4-piperidin-1-ylpyrido[2,3-d]pyrimidine-2-carboxamide
CID 53168197
5-ethyl-N-(4-pyrrolidin-1-ylbutyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 56914218
N-cyclohexyl-11,13-dimethyl-4-propyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaen-6-amine
CID 4899441
4-methyl-N-(3-morpholin-4-ylpropyl)-1,3-thiazol-2-amine
CID 43348242
6-chloro-N-(3-morpholin-4-ylpropyl)-2-propylpyrimidin-4-amine
CID 80940890

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-11,13-dimethyl-N-(3-morpholin-4-ylpropyl)-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaen-6-amine?
The IUPAC name of 4-ethyl-11,13-dimethyl-N-(3-morpholin-4-ylpropyl)-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaen-6-amine (CID 16669291) is 4-ethyl-11,13-dimethyl-N-(3-morpholin-4-ylpropyl)-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaen-6-amine.
What is the SMILES notation for 4-ethyl-11,13-dimethyl-N-(3-morpholin-4-ylpropyl)-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaen-6-amine?
The canonical SMILES for 4-ethyl-11,13-dimethyl-N-(3-morpholin-4-ylpropyl)-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaen-6-amine is CCc1cc(NCCCN2CCOCC2)n2nc3nc(C)cc(C)c3c2n1.
What is the InChIKey of 4-ethyl-11,13-dimethyl-N-(3-morpholin-4-ylpropyl)-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaen-6-amine?
The InChIKey is LVFZBIVQCDGXAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6O/c1-4-16-13-17(21-6-5-7-25-8-10-27-11-9-25)26-20(23-16)18-14(2)12-15(3)22-19(18)24-26/h12-13,21H,4-11H2,1-3H3.
What are the key properties of 4-ethyl-11,13-dimethyl-N-(3-morpholin-4-ylpropyl)-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaen-6-amine?
4-ethyl-11,13-dimethyl-N-(3-morpholin-4-ylpropyl)-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaen-6-amine has a molecular weight of 368.49 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-11,13-dimethyl-N-(3-morpholin-4-ylpropyl)-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaen-6-amine is sourced from PubChem (CID 16669291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).