7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-amine;N-(7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-ylidene)hydroxylamine

C28H26N4O — CID 159634952

IUPAC7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-amine;N-(7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-ylidene)hydroxylamine
SMILESNC1c2ccccc2CCc2ncccc21.ON=C1c2ccccc2CCc2ncccc21
InChIInChI=1S/C14H12N2O.C14H14N2/c17-16-14-11-5-2-1-4-10(11)7-8-13-12(14)6-3-9-15-13;15-14-11-5-2-1-4-10(11)7-8-13-12(14)6-3-9-16-13/h1-6,9,17H,7-8H2;1-6,9,14H,7-8,15H2
InChIKeyMPPSGJGMZRKPTB-UHFFFAOYSA-N
MW434.54 g/mol
LogP4.64
Rot. Bonds

About 7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-amine;N-(7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-ylidene)hydroxylamine

7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-amine;N-(7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-ylidene)hydroxylamine (PubChem CID 159634952) has the molecular formula C28H26N4O and a molecular weight of 434.54 g/mol. Its IUPAC name is 7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-amine;N-(7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-ylidene)hydroxylamine.

Molecular Properties

Compound Name7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-amine;N-(7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-ylidene)hydroxylamine
PubChem CID159634952
Molecular FormulaC28H26N4O
Molecular Weight434.54 g/mol
Exact Mass434.21
IUPAC Name7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-amine;N-(7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-ylidene)hydroxylamine
SMILESNC1c2ccccc2CCc2ncccc21.ON=C1c2ccccc2CCc2ncccc21
InChIInChI=1S/C14H12N2O.C14H14N2/c17-16-14-11-5-2-1-4-10(11)7-8-13-12(14)6-3-9-15-13;15-14-11-5-2-1-4-10(11)7-8-13-12(14)6-3-9-16-13/h1-6,9,17H,7-8H2;1-6,9,14H,7-8,15H2
InChIKeyMPPSGJGMZRKPTB-UHFFFAOYSA-N
XLogP4.64
TPSA84.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-amine;N-(7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-ylidene)hydroxylamine with MolForge

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Related Compounds

N-(14-fluoro-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)hydroxylamine
CID 72631051
5,6-dihydro-1,7-phenanthroline
CID 69016308
(11R)-5,11-dihydro-[1]benzoxepino[3,4-b]pyridin-11-amine
CID 129362353
2-[(E)-7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-ylideneamino]oxy-N,N-dimethylethanamine;oxalic acid
CID 21159625
6-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-one;(NE)-N-(6-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-ylidene)hydroxylamine
CID 172941326
2-piperazin-1-yl-7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene
CID 14835672
6-(dimethylamino)-2-methyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)quinazolin-4-one;tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-amine;tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-one;N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)hydroxylamine
CID 159332037
N-[(2R,4S)-11-tetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaenylidene]hydroxylamine
CID 90482427
N-(11-tetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaenylidene)hydroxylamine
CID 21414236
(NZ)-N-(1-amino-1,3-dihydroinden-2-ylidene)hydroxylamine
CID 58684839
11,12-dihydro-[1]benzoxocino[4,3-b]pyridin-5-one
CID 165346789
(E)-but-2-enedioic acid;2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene
CID 6447325

Frequently Asked Questions

What is the IUPAC name of 7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-amine;N-(7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-ylidene)hydroxylamine?
The IUPAC name of 7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-amine;N-(7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-ylidene)hydroxylamine (CID 159634952) is 7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-amine;N-(7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-ylidene)hydroxylamine.
What is the SMILES notation for 7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-amine;N-(7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-ylidene)hydroxylamine?
The canonical SMILES for 7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-amine;N-(7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-ylidene)hydroxylamine is NC1c2ccccc2CCc2ncccc21.ON=C1c2ccccc2CCc2ncccc21.
What is the InChIKey of 7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-amine;N-(7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-ylidene)hydroxylamine?
The InChIKey is MPPSGJGMZRKPTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O.C14H14N2/c17-16-14-11-5-2-1-4-10(11)7-8-13-12(14)6-3-9-15-13;15-14-11-5-2-1-4-10(11)7-8-13-12(14)6-3-9-16-13/h1-6,9,17H,7-8H2;1-6,9,14H,7-8,15H2.
What are the key properties of 7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-amine;N-(7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-ylidene)hydroxylamine?
7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-amine;N-(7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-ylidene)hydroxylamine has a molecular weight of 434.54 g/mol, XLogP of 4.64, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-amine;N-(7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-ylidene)hydroxylamine is sourced from PubChem (CID 159634952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).