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

C15H19N5O — CID 667392

IUPACN-(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
SMILESCOCCNc1cc(C)nc2c3c(C)cc(C)nc3nn12
InChIInChI=1S/C15H19N5O/c1-9-7-10(2)17-14-13(9)15-18-11(3)8-12(20(15)19-14)16-5-6-21-4/h7-8,16H,5-6H2,1-4H3
InChIKeyZLMWZCABIHEKBN-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.26
Rot. Bonds4

About 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

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 (PubChem CID 667392) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-(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
PubChem CID667392
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC NameN-(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
SMILESCOCCNc1cc(C)nc2c3c(C)cc(C)nc3nn12
InChIInChI=1S/C15H19N5O/c1-9-7-10(2)17-14-13(9)15-18-11(3)8-12(20(15)19-14)16-5-6-21-4/h7-8,16H,5-6H2,1-4H3
InChIKeyZLMWZCABIHEKBN-UHFFFAOYSA-N
XLogP2.26
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COCCNc1cc(C)nc2c3c(C)cc(C)nc3nn12.
What is the InChIKey of 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?
The InChIKey is ZLMWZCABIHEKBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O/c1-9-7-10(2)17-14-13(9)15-18-11(3)8-12(20(15)19-14)16-5-6-21-4/h7-8,16H,5-6H2,1-4H3.
What are the key properties of 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?
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 has a molecular weight of 285.35 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 667392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).