7-N,7-N,11-N,11-N-tetramethyl-9-(4-nitrophenyl)-2-oxa-4,6,12,14-tetrazatricyclo[8.4.0.03,8]tetradeca-1(14),3,5,7,10,12-hexaene-7,11-diamine

C19H19N7O3 — CID 2921052

IUPAC7-N,7-N,11-N,11-N-tetramethyl-9-(4-nitrophenyl)-2-oxa-4,6,12,14-tetrazatricyclo[8.4.0.03,8]tetradeca-1(14),3,5,7,10,12-hexaene-7,11-diamine
SMILESCN(C)c1ncnc2c1C(c1ccc([N+](=O)[O-])cc1)c1c(ncnc1N(C)C)O2
InChIInChI=1S/C19H19N7O3/c1-24(2)16-14-13(11-5-7-12(8-6-11)26(27)28)15-17(25(3)4)21-10-23-19(15)29-18(14)22-9-20-16/h5-10,13H,1-4H3
InChIKeyOVSWFOUMJPIOAX-UHFFFAOYSA-N
MW393.41 g/mol
LogP2.59
Rot. Bonds4

About 7-N,7-N,11-N,11-N-tetramethyl-9-(4-nitrophenyl)-2-oxa-4,6,12,14-tetrazatricyclo[8.4.0.03,8]tetradeca-1(14),3,5,7,10,12-hexaene-7,11-diamine

7-N,7-N,11-N,11-N-tetramethyl-9-(4-nitrophenyl)-2-oxa-4,6,12,14-tetrazatricyclo[8.4.0.03,8]tetradeca-1(14),3,5,7,10,12-hexaene-7,11-diamine (PubChem CID 2921052) has the molecular formula C19H19N7O3 and a molecular weight of 393.41 g/mol. Its IUPAC name is 7-N,7-N,11-N,11-N-tetramethyl-9-(4-nitrophenyl)-2-oxa-4,6,12,14-tetrazatricyclo[8.4.0.03,8]tetradeca-1(14),3,5,7,10,12-hexaene-7,11-diamine.

Molecular Properties

Compound Name7-N,7-N,11-N,11-N-tetramethyl-9-(4-nitrophenyl)-2-oxa-4,6,12,14-tetrazatricyclo[8.4.0.03,8]tetradeca-1(14),3,5,7,10,12-hexaene-7,11-diamine
PubChem CID2921052
Molecular FormulaC19H19N7O3
Molecular Weight393.41 g/mol
Exact Mass393.15
IUPAC Name7-N,7-N,11-N,11-N-tetramethyl-9-(4-nitrophenyl)-2-oxa-4,6,12,14-tetrazatricyclo[8.4.0.03,8]tetradeca-1(14),3,5,7,10,12-hexaene-7,11-diamine
SMILESCN(C)c1ncnc2c1C(c1ccc([N+](=O)[O-])cc1)c1c(ncnc1N(C)C)O2
InChIInChI=1S/C19H19N7O3/c1-24(2)16-14-13(11-5-7-12(8-6-11)26(27)28)15-17(25(3)4)21-10-23-19(15)29-18(14)22-9-20-16/h5-10,13H,1-4H3
InChIKeyOVSWFOUMJPIOAX-UHFFFAOYSA-N
XLogP2.59
TPSA110.41 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.41
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 7-N,7-N,11-N,11-N-tetramethyl-9-(4-nitrophenyl)-2-oxa-4,6,12,14-tetrazatricyclo[8.4.0.03,8]tetradeca-1(14),3,5,7,10,12-hexaene-7,11-diamine with MolForge

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Related Compounds

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CID 155927400
2-(4-nitrophenyl)-1,3-dioxepane
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3-(4-nitrophenyl)-3H-1-benzofuran-2-one
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methanamine;4-nitroaniline
CID 22708932
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(4S)-6-amino-4-(4-nitrophenyl)-3-propan-2-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 672885
9-(4-nitrophenyl)-2,4,6,12,14-pentazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8)-diene-5,7,11,13-tetrone
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5-(4-nitrophenyl)-5H-tetrazole
CID 174394321
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Frequently Asked Questions

What is the IUPAC name of 7-N,7-N,11-N,11-N-tetramethyl-9-(4-nitrophenyl)-2-oxa-4,6,12,14-tetrazatricyclo[8.4.0.03,8]tetradeca-1(14),3,5,7,10,12-hexaene-7,11-diamine?
The IUPAC name of 7-N,7-N,11-N,11-N-tetramethyl-9-(4-nitrophenyl)-2-oxa-4,6,12,14-tetrazatricyclo[8.4.0.03,8]tetradeca-1(14),3,5,7,10,12-hexaene-7,11-diamine (CID 2921052) is 7-N,7-N,11-N,11-N-tetramethyl-9-(4-nitrophenyl)-2-oxa-4,6,12,14-tetrazatricyclo[8.4.0.03,8]tetradeca-1(14),3,5,7,10,12-hexaene-7,11-diamine.
What is the SMILES notation for 7-N,7-N,11-N,11-N-tetramethyl-9-(4-nitrophenyl)-2-oxa-4,6,12,14-tetrazatricyclo[8.4.0.03,8]tetradeca-1(14),3,5,7,10,12-hexaene-7,11-diamine?
The canonical SMILES for 7-N,7-N,11-N,11-N-tetramethyl-9-(4-nitrophenyl)-2-oxa-4,6,12,14-tetrazatricyclo[8.4.0.03,8]tetradeca-1(14),3,5,7,10,12-hexaene-7,11-diamine is CN(C)c1ncnc2c1C(c1ccc([N+](=O)[O-])cc1)c1c(ncnc1N(C)C)O2.
What is the InChIKey of 7-N,7-N,11-N,11-N-tetramethyl-9-(4-nitrophenyl)-2-oxa-4,6,12,14-tetrazatricyclo[8.4.0.03,8]tetradeca-1(14),3,5,7,10,12-hexaene-7,11-diamine?
The InChIKey is OVSWFOUMJPIOAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N7O3/c1-24(2)16-14-13(11-5-7-12(8-6-11)26(27)28)15-17(25(3)4)21-10-23-19(15)29-18(14)22-9-20-16/h5-10,13H,1-4H3.
What are the key properties of 7-N,7-N,11-N,11-N-tetramethyl-9-(4-nitrophenyl)-2-oxa-4,6,12,14-tetrazatricyclo[8.4.0.03,8]tetradeca-1(14),3,5,7,10,12-hexaene-7,11-diamine?
7-N,7-N,11-N,11-N-tetramethyl-9-(4-nitrophenyl)-2-oxa-4,6,12,14-tetrazatricyclo[8.4.0.03,8]tetradeca-1(14),3,5,7,10,12-hexaene-7,11-diamine has a molecular weight of 393.41 g/mol, XLogP of 2.59, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N,7-N,11-N,11-N-tetramethyl-9-(4-nitrophenyl)-2-oxa-4,6,12,14-tetrazatricyclo[8.4.0.03,8]tetradeca-1(14),3,5,7,10,12-hexaene-7,11-diamine is sourced from PubChem (CID 2921052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).