N-(4-methyl-10-azatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2(6),11-trien-5-ylidene)hydroxylamine

C15H18N2O — CID 88769149

IUPACN-(4-methyl-10-azatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2(6),11-trien-5-ylidene)hydroxylamine
SMILESCC1CC2=C(CC3CNC4=CCCC2=C43)C1=NO
InChIInChI=1S/C15H18N2O/c1-8-5-11-10-3-2-4-13-14(10)9(7-16-13)6-12(11)15(8)17-18/h4,8-9,16,18H,2-3,5-7H2,1H3
InChIKeyFQDIGHNGXJNCKR-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.75
Rot. Bonds

About N-(4-methyl-10-azatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2(6),11-trien-5-ylidene)hydroxylamine

N-(4-methyl-10-azatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2(6),11-trien-5-ylidene)hydroxylamine (PubChem CID 88769149) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is N-(4-methyl-10-azatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2(6),11-trien-5-ylidene)hydroxylamine.

Molecular Properties

Compound NameN-(4-methyl-10-azatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2(6),11-trien-5-ylidene)hydroxylamine
PubChem CID88769149
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC NameN-(4-methyl-10-azatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2(6),11-trien-5-ylidene)hydroxylamine
SMILESCC1CC2=C(CC3CNC4=CCCC2=C43)C1=NO
InChIInChI=1S/C15H18N2O/c1-8-5-11-10-3-2-4-13-14(10)9(7-16-13)6-12(11)15(8)17-18/h4,8-9,16,18H,2-3,5-7H2,1H3
InChIKeyFQDIGHNGXJNCKR-UHFFFAOYSA-N
XLogP2.75
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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'}

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Related Compounds

N-(10-azatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2(6),11-trien-5-ylidene)hydroxylamine
CID 88731339
1-(2,3,3a,4,5,6,7,9b-octahydro-1H-benzo[e]indol-9-yl)ethanimine
CID 123691188

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-10-azatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2(6),11-trien-5-ylidene)hydroxylamine?
The IUPAC name of N-(4-methyl-10-azatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2(6),11-trien-5-ylidene)hydroxylamine (CID 88769149) is N-(4-methyl-10-azatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2(6),11-trien-5-ylidene)hydroxylamine.
What is the SMILES notation for N-(4-methyl-10-azatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2(6),11-trien-5-ylidene)hydroxylamine?
The canonical SMILES for N-(4-methyl-10-azatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2(6),11-trien-5-ylidene)hydroxylamine is CC1CC2=C(CC3CNC4=CCCC2=C43)C1=NO.
What is the InChIKey of N-(4-methyl-10-azatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2(6),11-trien-5-ylidene)hydroxylamine?
The InChIKey is FQDIGHNGXJNCKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-8-5-11-10-3-2-4-13-14(10)9(7-16-13)6-12(11)15(8)17-18/h4,8-9,16,18H,2-3,5-7H2,1H3.
What are the key properties of N-(4-methyl-10-azatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2(6),11-trien-5-ylidene)hydroxylamine?
N-(4-methyl-10-azatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2(6),11-trien-5-ylidene)hydroxylamine has a molecular weight of 242.32 g/mol, XLogP of 2.75, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-10-azatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2(6),11-trien-5-ylidene)hydroxylamine is sourced from PubChem (CID 88769149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).