(NZ)-N-[(1R,2R,11S,12S)-3-methyl-3,10-diazatetracyclo[10.3.1.02,11.04,9]hexadeca-4,6,8-trien-16-ylidene]hydroxylamine

C15H19N3O — CID 23266598

IUPAC(NZ)-N-[(1R,2R,11S,12S)-3-methyl-3,10-diazatetracyclo[10.3.1.02,11.04,9]hexadeca-4,6,8-trien-16-ylidene]hydroxylamine
SMILESCN1c2ccccc2N[C@@H]2[C@H]1[C@H]1CCC[C@@H]2/C1=N/O
InChIInChI=1S/C15H19N3O/c1-18-12-8-3-2-7-11(12)16-14-9-5-4-6-10(15(14)18)13(9)17-19/h2-3,7-10,14-16,19H,4-6H2,1H3/b17-13-/t9-,10+,14+,15-/m1/s1
InChIKeyWRBPOHMKEPAUOM-HHTXENRZSA-N
MW257.34 g/mol
LogP2.55
Rot. Bonds

About (NZ)-N-[(1R,2R,11S,12S)-3-methyl-3,10-diazatetracyclo[10.3.1.02,11.04,9]hexadeca-4,6,8-trien-16-ylidene]hydroxylamine

(NZ)-N-[(1R,2R,11S,12S)-3-methyl-3,10-diazatetracyclo[10.3.1.02,11.04,9]hexadeca-4,6,8-trien-16-ylidene]hydroxylamine (PubChem CID 23266598) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is (NZ)-N-[(1R,2R,11S,12S)-3-methyl-3,10-diazatetracyclo[10.3.1.02,11.04,9]hexadeca-4,6,8-trien-16-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[(1R,2R,11S,12S)-3-methyl-3,10-diazatetracyclo[10.3.1.02,11.04,9]hexadeca-4,6,8-trien-16-ylidene]hydroxylamine
PubChem CID23266598
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name(NZ)-N-[(1R,2R,11S,12S)-3-methyl-3,10-diazatetracyclo[10.3.1.02,11.04,9]hexadeca-4,6,8-trien-16-ylidene]hydroxylamine
SMILESCN1c2ccccc2N[C@@H]2[C@H]1[C@H]1CCC[C@@H]2/C1=N/O
InChIInChI=1S/C15H19N3O/c1-18-12-8-3-2-7-11(12)16-14-9-5-4-6-10(15(14)18)13(9)17-19/h2-3,7-10,14-16,19H,4-6H2,1H3/b17-13-/t9-,10+,14+,15-/m1/s1
InChIKeyWRBPOHMKEPAUOM-HHTXENRZSA-N
XLogP2.55
TPSA47.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 (NZ)-N-[(1R,2R,11S,12S)-3-methyl-3,10-diazatetracyclo[10.3.1.02,11.04,9]hexadeca-4,6,8-trien-16-ylidene]hydroxylamine with MolForge

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Related Compounds

3-methyl-3,10-diazatetracyclo[10.3.1.02,11.04,9]hexadeca-4,6,8-trien-16-one
CID 12514136
(2S)-2,3-dimethyl-1,2-dihydrobenzimidazole
CID 134369206
3-methyl-2-propan-2-yl-1,2-dihydrobenzimidazole
CID 130205094
N-[(1R,5S)-2,4-bis(2-methoxyphenyl)-3-azabicyclo[3.3.1]nonan-9-ylidene]hydroxylamine
CID 46180132
2,4-dimethyl-2,3-dihydro-1H-quinoxaline;ethane
CID 156796613
N-[2,4-bis(4-methoxyphenyl)-3-azabicyclo[3.3.1]nonan-9-ylidene]hydroxylamine
CID 75164270
cyclohexyl (3aR,9aS)-2,9-dimethyl-4,9a-dihydro-3aH-furo[3,2-b]quinoxaline-3-carboxylate
CID 95989014
(3R,3aR,9aS)-2-ethoxy-4-methyl-3-phenyl-3,3a,9,9a-tetrahydropyrrolo[2,3-b]quinoxaline
CID 12704727
[(1R,2R,4S,5R)-3-methyl-2,4-diphenyl-3-azabicyclo[3.3.1]nonan-9-ylidene]hydrazine
CID 50935450
[(1S,2R,4R,5R)-3-methyl-2,4-diphenyl-3-azabicyclo[3.3.1]nonan-9-ylidene]hydrazine
CID 40540984
2-[4-(9H-fluoren-9-yl)piperazin-1-yl]-3-methyl-1,2-dihydrobenzimidazole
CID 2938029
(1S,2S,4R,5R)-N-methoxy-3-methyl-2,4-diphenyl-3-azabicyclo[3.3.1]nonan-9-imine
CID 54586140

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[(1R,2R,11S,12S)-3-methyl-3,10-diazatetracyclo[10.3.1.02,11.04,9]hexadeca-4,6,8-trien-16-ylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[(1R,2R,11S,12S)-3-methyl-3,10-diazatetracyclo[10.3.1.02,11.04,9]hexadeca-4,6,8-trien-16-ylidene]hydroxylamine (CID 23266598) is (NZ)-N-[(1R,2R,11S,12S)-3-methyl-3,10-diazatetracyclo[10.3.1.02,11.04,9]hexadeca-4,6,8-trien-16-ylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[(1R,2R,11S,12S)-3-methyl-3,10-diazatetracyclo[10.3.1.02,11.04,9]hexadeca-4,6,8-trien-16-ylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[(1R,2R,11S,12S)-3-methyl-3,10-diazatetracyclo[10.3.1.02,11.04,9]hexadeca-4,6,8-trien-16-ylidene]hydroxylamine is CN1c2ccccc2N[C@@H]2[C@H]1[C@H]1CCC[C@@H]2/C1=N/O.
What is the InChIKey of (NZ)-N-[(1R,2R,11S,12S)-3-methyl-3,10-diazatetracyclo[10.3.1.02,11.04,9]hexadeca-4,6,8-trien-16-ylidene]hydroxylamine?
The InChIKey is WRBPOHMKEPAUOM-HHTXENRZSA-N. The full InChI is InChI=1S/C15H19N3O/c1-18-12-8-3-2-7-11(12)16-14-9-5-4-6-10(15(14)18)13(9)17-19/h2-3,7-10,14-16,19H,4-6H2,1H3/b17-13-/t9-,10+,14+,15-/m1/s1.
What are the key properties of (NZ)-N-[(1R,2R,11S,12S)-3-methyl-3,10-diazatetracyclo[10.3.1.02,11.04,9]hexadeca-4,6,8-trien-16-ylidene]hydroxylamine?
(NZ)-N-[(1R,2R,11S,12S)-3-methyl-3,10-diazatetracyclo[10.3.1.02,11.04,9]hexadeca-4,6,8-trien-16-ylidene]hydroxylamine has a molecular weight of 257.34 g/mol, XLogP of 2.55, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[(1R,2R,11S,12S)-3-methyl-3,10-diazatetracyclo[10.3.1.02,11.04,9]hexadeca-4,6,8-trien-16-ylidene]hydroxylamine is sourced from PubChem (CID 23266598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).