N-(1',5'-dimethylspiro[bicyclo[2.2.1]heptane-3,3'-bicyclo[3.1.0]hexane]-2-ylidene)hydroxylamine

C14H21NO — CID 164833418

IUPACN-(1',5'-dimethylspiro[bicyclo[2.2.1]heptane-3,3'-bicyclo[3.1.0]hexane]-2-ylidene)hydroxylamine
SMILESCC12CC3(CC1(C)C2)C(=NO)C1CCC3C1
InChIInChI=1S/C14H21NO/c1-12-6-13(12,2)8-14(7-12)10-4-3-9(5-10)11(14)15-16/h9-10,16H,3-8H2,1-2H3
InChIKeyNQQVHGGMMIFGBZ-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.44
Rot. Bonds

About N-(1',5'-dimethylspiro[bicyclo[2.2.1]heptane-3,3'-bicyclo[3.1.0]hexane]-2-ylidene)hydroxylamine

N-(1',5'-dimethylspiro[bicyclo[2.2.1]heptane-3,3'-bicyclo[3.1.0]hexane]-2-ylidene)hydroxylamine (PubChem CID 164833418) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is N-(1',5'-dimethylspiro[bicyclo[2.2.1]heptane-3,3'-bicyclo[3.1.0]hexane]-2-ylidene)hydroxylamine.

Molecular Properties

Compound NameN-(1',5'-dimethylspiro[bicyclo[2.2.1]heptane-3,3'-bicyclo[3.1.0]hexane]-2-ylidene)hydroxylamine
PubChem CID164833418
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC NameN-(1',5'-dimethylspiro[bicyclo[2.2.1]heptane-3,3'-bicyclo[3.1.0]hexane]-2-ylidene)hydroxylamine
SMILESCC12CC3(CC1(C)C2)C(=NO)C1CCC3C1
InChIInChI=1S/C14H21NO/c1-12-6-13(12,2)8-14(7-12)10-4-3-9(5-10)11(14)15-16/h9-10,16H,3-8H2,1-2H3
InChIKeyNQQVHGGMMIFGBZ-UHFFFAOYSA-N
XLogP3.44
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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Frequently Asked Questions

What is the IUPAC name of N-(1',5'-dimethylspiro[bicyclo[2.2.1]heptane-3,3'-bicyclo[3.1.0]hexane]-2-ylidene)hydroxylamine?
The IUPAC name of N-(1',5'-dimethylspiro[bicyclo[2.2.1]heptane-3,3'-bicyclo[3.1.0]hexane]-2-ylidene)hydroxylamine (CID 164833418) is N-(1',5'-dimethylspiro[bicyclo[2.2.1]heptane-3,3'-bicyclo[3.1.0]hexane]-2-ylidene)hydroxylamine.
What is the SMILES notation for N-(1',5'-dimethylspiro[bicyclo[2.2.1]heptane-3,3'-bicyclo[3.1.0]hexane]-2-ylidene)hydroxylamine?
The canonical SMILES for N-(1',5'-dimethylspiro[bicyclo[2.2.1]heptane-3,3'-bicyclo[3.1.0]hexane]-2-ylidene)hydroxylamine is CC12CC3(CC1(C)C2)C(=NO)C1CCC3C1.
What is the InChIKey of N-(1',5'-dimethylspiro[bicyclo[2.2.1]heptane-3,3'-bicyclo[3.1.0]hexane]-2-ylidene)hydroxylamine?
The InChIKey is NQQVHGGMMIFGBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-12-6-13(12,2)8-14(7-12)10-4-3-9(5-10)11(14)15-16/h9-10,16H,3-8H2,1-2H3.
What are the key properties of N-(1',5'-dimethylspiro[bicyclo[2.2.1]heptane-3,3'-bicyclo[3.1.0]hexane]-2-ylidene)hydroxylamine?
N-(1',5'-dimethylspiro[bicyclo[2.2.1]heptane-3,3'-bicyclo[3.1.0]hexane]-2-ylidene)hydroxylamine has a molecular weight of 219.33 g/mol, XLogP of 3.44, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1',5'-dimethylspiro[bicyclo[2.2.1]heptane-3,3'-bicyclo[3.1.0]hexane]-2-ylidene)hydroxylamine is sourced from PubChem (CID 164833418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).