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

C19H23N7 — CID 95808195

IUPAC4-ethyl-N-(3-imidazol-1-ylpropyl)-11,13-dimethyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaen-6-amine
SMILESCCc1cc(NCCCn2ccnc2)n2nc3nc(C)cc(C)c3c2n1
InChIInChI=1S/C19H23N7/c1-4-15-11-16(21-6-5-8-25-9-7-20-12-25)26-19(23-15)17-13(2)10-14(3)22-18(17)24-26/h7,9-12,21H,4-6,8H2,1-3H3
InChIKeyWOJBBUWIGFLMFZ-UHFFFAOYSA-N
MW349.44 g/mol
LogP3.16
Rot. Bonds6

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

4-ethyl-N-(3-imidazol-1-ylpropyl)-11,13-dimethyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaen-6-amine (PubChem CID 95808195) has the molecular formula C19H23N7 and a molecular weight of 349.44 g/mol. Its IUPAC name is 4-ethyl-N-(3-imidazol-1-ylpropyl)-11,13-dimethyl-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-N-(3-imidazol-1-ylpropyl)-11,13-dimethyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaen-6-amine
PubChem CID95808195
Molecular FormulaC19H23N7
Molecular Weight349.44 g/mol
Exact Mass349.20
IUPAC Name4-ethyl-N-(3-imidazol-1-ylpropyl)-11,13-dimethyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaen-6-amine
SMILESCCc1cc(NCCCn2ccnc2)n2nc3nc(C)cc(C)c3c2n1
InChIInChI=1S/C19H23N7/c1-4-15-11-16(21-6-5-8-25-9-7-20-12-25)26-19(23-15)17-13(2)10-14(3)22-18(17)24-26/h7,9-12,21H,4-6,8H2,1-3H3
InChIKeyWOJBBUWIGFLMFZ-UHFFFAOYSA-N
XLogP3.16
TPSA72.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 4-ethyl-N-(3-imidazol-1-ylpropyl)-11,13-dimethyl-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

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
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
7-N-(3-imidazol-1-ylpropyl)-5-methylpyrazolo[1,5-a]pyrimidine-3,7-diamine
CID 170427296
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-imidazol-1-yl-11,13-dimethyl-4-propyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaene
CID 4973931
2-(4-imidazol-1-ylbutylamino)-6-methylpyrimidine-4-carbonitrile
CID 107544221
5-chloro-N-(3-imidazol-1-ylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 102918251
N-(3-imidazol-1-ylpropyl)-2,5-dimethylaniline
CID 54960830
N-(3-imidazol-1-ylpropyl)-6-methylpyridazin-3-amine
CID 61313104
N-(3-imidazol-1-ylpropyl)-4-methylpyrimidin-2-amine
CID 62960707
1-N-(3-imidazol-1-ylpropyl)-3-N,3-N,4-trimethylbenzene-1,3-diamine
CID 115378188
N-(3-imidazol-1-ylpropyl)-2-(3-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine
CID 3229916

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(3-imidazol-1-ylpropyl)-11,13-dimethyl-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-N-(3-imidazol-1-ylpropyl)-11,13-dimethyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaen-6-amine (CID 95808195) is 4-ethyl-N-(3-imidazol-1-ylpropyl)-11,13-dimethyl-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-N-(3-imidazol-1-ylpropyl)-11,13-dimethyl-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-N-(3-imidazol-1-ylpropyl)-11,13-dimethyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaen-6-amine is CCc1cc(NCCCn2ccnc2)n2nc3nc(C)cc(C)c3c2n1.
What is the InChIKey of 4-ethyl-N-(3-imidazol-1-ylpropyl)-11,13-dimethyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaen-6-amine?
The InChIKey is WOJBBUWIGFLMFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N7/c1-4-15-11-16(21-6-5-8-25-9-7-20-12-25)26-19(23-15)17-13(2)10-14(3)22-18(17)24-26/h7,9-12,21H,4-6,8H2,1-3H3.
What are the key properties of 4-ethyl-N-(3-imidazol-1-ylpropyl)-11,13-dimethyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaen-6-amine?
4-ethyl-N-(3-imidazol-1-ylpropyl)-11,13-dimethyl-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 349.44 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(3-imidazol-1-ylpropyl)-11,13-dimethyl-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 95808195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).