13-N,7-dimethyl-11-N-(3-morpholin-4-ylpropyl)-8,10,12-triazatricyclo[7.4.0.02,6]trideca-1,6,8,10,12-pentaene-11,13-diamine

C19H28N6O — CID 176671374

IUPAC13-N,7-dimethyl-11-N-(3-morpholin-4-ylpropyl)-8,10,12-triazatricyclo[7.4.0.02,6]trideca-1,6,8,10,12-pentaene-11,13-diamine
SMILESCNc1nc(NCCCN2CCOCC2)nc2nc(C)c3c(c12)CCC3
InChIInChI=1S/C19H28N6O/c1-13-14-5-3-6-15(14)16-17(20-2)23-19(24-18(16)22-13)21-7-4-8-25-9-11-26-12-10-25/h3-12H2,1-2H3,(H2,20,21,22,23,24)
InChIKeySRDKZKZHHRCBHF-UHFFFAOYSA-N
MW356.47 g/mol
LogP2.00
Rot. Bonds6

About 13-N,7-dimethyl-11-N-(3-morpholin-4-ylpropyl)-8,10,12-triazatricyclo[7.4.0.02,6]trideca-1,6,8,10,12-pentaene-11,13-diamine

13-N,7-dimethyl-11-N-(3-morpholin-4-ylpropyl)-8,10,12-triazatricyclo[7.4.0.02,6]trideca-1,6,8,10,12-pentaene-11,13-diamine (PubChem CID 176671374) has the molecular formula C19H28N6O and a molecular weight of 356.47 g/mol. Its IUPAC name is 13-N,7-dimethyl-11-N-(3-morpholin-4-ylpropyl)-8,10,12-triazatricyclo[7.4.0.02,6]trideca-1,6,8,10,12-pentaene-11,13-diamine.

Molecular Properties

Compound Name13-N,7-dimethyl-11-N-(3-morpholin-4-ylpropyl)-8,10,12-triazatricyclo[7.4.0.02,6]trideca-1,6,8,10,12-pentaene-11,13-diamine
PubChem CID176671374
Molecular FormulaC19H28N6O
Molecular Weight356.47 g/mol
Exact Mass356.23
IUPAC Name13-N,7-dimethyl-11-N-(3-morpholin-4-ylpropyl)-8,10,12-triazatricyclo[7.4.0.02,6]trideca-1,6,8,10,12-pentaene-11,13-diamine
SMILESCNc1nc(NCCCN2CCOCC2)nc2nc(C)c3c(c12)CCC3
InChIInChI=1S/C19H28N6O/c1-13-14-5-3-6-15(14)16-17(20-2)23-19(24-18(16)22-13)21-7-4-8-25-9-11-26-12-10-25/h3-12H2,1-2H3,(H2,20,21,22,23,24)
InChIKeySRDKZKZHHRCBHF-UHFFFAOYSA-N
XLogP2.00
TPSA75.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 13-N,7-dimethyl-11-N-(3-morpholin-4-ylpropyl)-8,10,12-triazatricyclo[7.4.0.02,6]trideca-1,6,8,10,12-pentaene-11,13-diamine with MolForge

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Related Compounds

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4,6-dimethoxy-5-N-methyl-2-N-(3-morpholin-4-ylpropyl)pyrimidine-2,5-diamine
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6-methyl-4-N-(3-morpholin-4-ylpropyl)-2-N-(2,4,6-trimethylphenyl)-1,3,5-triazine-2,4-diamine
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2,4-dimethyl-N-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidin-6-amine
CID 170366178
N-(3-morpholin-4-ylpropyl)-7-propyl-10-thia-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaen-12-amine
CID 2002280
6-methyl-2-(3-morpholin-4-ylpropylamino)pyrimidine-4-carbonitrile
CID 107543599
4-chloro-6-methyl-N-(2-morpholin-4-ylethyl)-1,3,5-triazin-2-amine
CID 143985982
2-N,2-N,6-N-trimethyl-4-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4,6-triamine
CID 80777256
6-methoxy-4-N-methyl-2-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine
CID 80777051
4-methyl-2-(3-morpholin-4-ylpropylamino)pyrimidine-5-carboxylic acid
CID 83182094
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Frequently Asked Questions

What is the IUPAC name of 13-N,7-dimethyl-11-N-(3-morpholin-4-ylpropyl)-8,10,12-triazatricyclo[7.4.0.02,6]trideca-1,6,8,10,12-pentaene-11,13-diamine?
The IUPAC name of 13-N,7-dimethyl-11-N-(3-morpholin-4-ylpropyl)-8,10,12-triazatricyclo[7.4.0.02,6]trideca-1,6,8,10,12-pentaene-11,13-diamine (CID 176671374) is 13-N,7-dimethyl-11-N-(3-morpholin-4-ylpropyl)-8,10,12-triazatricyclo[7.4.0.02,6]trideca-1,6,8,10,12-pentaene-11,13-diamine.
What is the SMILES notation for 13-N,7-dimethyl-11-N-(3-morpholin-4-ylpropyl)-8,10,12-triazatricyclo[7.4.0.02,6]trideca-1,6,8,10,12-pentaene-11,13-diamine?
The canonical SMILES for 13-N,7-dimethyl-11-N-(3-morpholin-4-ylpropyl)-8,10,12-triazatricyclo[7.4.0.02,6]trideca-1,6,8,10,12-pentaene-11,13-diamine is CNc1nc(NCCCN2CCOCC2)nc2nc(C)c3c(c12)CCC3.
What is the InChIKey of 13-N,7-dimethyl-11-N-(3-morpholin-4-ylpropyl)-8,10,12-triazatricyclo[7.4.0.02,6]trideca-1,6,8,10,12-pentaene-11,13-diamine?
The InChIKey is SRDKZKZHHRCBHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O/c1-13-14-5-3-6-15(14)16-17(20-2)23-19(24-18(16)22-13)21-7-4-8-25-9-11-26-12-10-25/h3-12H2,1-2H3,(H2,20,21,22,23,24).
What are the key properties of 13-N,7-dimethyl-11-N-(3-morpholin-4-ylpropyl)-8,10,12-triazatricyclo[7.4.0.02,6]trideca-1,6,8,10,12-pentaene-11,13-diamine?
13-N,7-dimethyl-11-N-(3-morpholin-4-ylpropyl)-8,10,12-triazatricyclo[7.4.0.02,6]trideca-1,6,8,10,12-pentaene-11,13-diamine has a molecular weight of 356.47 g/mol, XLogP of 2.00, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 13-N,7-dimethyl-11-N-(3-morpholin-4-ylpropyl)-8,10,12-triazatricyclo[7.4.0.02,6]trideca-1,6,8,10,12-pentaene-11,13-diamine is sourced from PubChem (CID 176671374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).