1,7,7-trimethyl-N-(naphthalen-1-ylmethoxy)bicyclo[2.2.1]heptan-2-imine

C21H25NO — CID 73122063

IUPAC1,7,7-trimethyl-N-(naphthalen-1-ylmethoxy)bicyclo[2.2.1]heptan-2-imine
SMILESCC12CCC(CC1=NOCc1cccc3ccccc13)C2(C)C
InChIInChI=1S/C21H25NO/c1-20(2)17-11-12-21(20,3)19(13-17)22-23-14-16-9-6-8-15-7-4-5-10-18(15)16/h4-10,17H,11-14H2,1-3H3
InChIKeyQCPDHEXLIZMSSN-UHFFFAOYSA-N
MW307.44 g/mol
LogP5.56
Rot. Bonds3

About 1,7,7-trimethyl-N-(naphthalen-1-ylmethoxy)bicyclo[2.2.1]heptan-2-imine

1,7,7-trimethyl-N-(naphthalen-1-ylmethoxy)bicyclo[2.2.1]heptan-2-imine (PubChem CID 73122063) has the molecular formula C21H25NO and a molecular weight of 307.44 g/mol. Its IUPAC name is 1,7,7-trimethyl-N-(naphthalen-1-ylmethoxy)bicyclo[2.2.1]heptan-2-imine.

Molecular Properties

Compound Name1,7,7-trimethyl-N-(naphthalen-1-ylmethoxy)bicyclo[2.2.1]heptan-2-imine
PubChem CID73122063
Molecular FormulaC21H25NO
Molecular Weight307.44 g/mol
Exact Mass307.19
IUPAC Name1,7,7-trimethyl-N-(naphthalen-1-ylmethoxy)bicyclo[2.2.1]heptan-2-imine
SMILESCC12CCC(CC1=NOCc1cccc3ccccc13)C2(C)C
InChIInChI=1S/C21H25NO/c1-20(2)17-11-12-21(20,3)19(13-17)22-23-14-16-9-6-8-15-7-4-5-10-18(15)16/h4-10,17H,11-14H2,1-3H3
InChIKeyQCPDHEXLIZMSSN-UHFFFAOYSA-N
XLogP5.56
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.44
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[(4-fluorophenyl)methoxy]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-imine
CID 146675986
(E)-1,7,7-trimethyl-N-prop-2-ynoxybicyclo[2.2.1]heptan-2-imine
CID 5361997
1,7,7-trimethyl-N-sulfanyloxybicyclo[2.2.1]heptan-2-imine
CID 175694316
[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino] benzoate
CID 4633669
2-[2-[(E)-[(1S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]oxyethylcarbamoyl]benzoic acid
CID 7859165
(E,1R,4R)-1,7,7-trimethyl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methoxy]bicyclo[2.2.1]heptan-2-imine
CID 166283178
[(Z)-[(1S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino] 1-benzofuran-2-carboxylate
CID 22525362
(E,1S,4S)-1,7,7-trimethyl-N-[(E)-[(1S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]bicyclo[2.2.1]heptan-2-imine
CID 124885950
[(Z)-[(1S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino] 2,6-difluorobenzoate
CID 23308451
(2R)-1-[4-(2-phenylethyl)piperazine-1,4-diium-1-yl]-3-[(Z)-[(1R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]oxypropan-2-ol
CID 23375786
[(E)-[(1S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino] 3-methylbenzoate
CID 23375277
[(Z)-[(1S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino] 2-oxochromene-3-carboxylate
CID 22524906

Frequently Asked Questions

What is the IUPAC name of 1,7,7-trimethyl-N-(naphthalen-1-ylmethoxy)bicyclo[2.2.1]heptan-2-imine?
The IUPAC name of 1,7,7-trimethyl-N-(naphthalen-1-ylmethoxy)bicyclo[2.2.1]heptan-2-imine (CID 73122063) is 1,7,7-trimethyl-N-(naphthalen-1-ylmethoxy)bicyclo[2.2.1]heptan-2-imine.
What is the SMILES notation for 1,7,7-trimethyl-N-(naphthalen-1-ylmethoxy)bicyclo[2.2.1]heptan-2-imine?
The canonical SMILES for 1,7,7-trimethyl-N-(naphthalen-1-ylmethoxy)bicyclo[2.2.1]heptan-2-imine is CC12CCC(CC1=NOCc1cccc3ccccc13)C2(C)C.
What is the InChIKey of 1,7,7-trimethyl-N-(naphthalen-1-ylmethoxy)bicyclo[2.2.1]heptan-2-imine?
The InChIKey is QCPDHEXLIZMSSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO/c1-20(2)17-11-12-21(20,3)19(13-17)22-23-14-16-9-6-8-15-7-4-5-10-18(15)16/h4-10,17H,11-14H2,1-3H3.
What are the key properties of 1,7,7-trimethyl-N-(naphthalen-1-ylmethoxy)bicyclo[2.2.1]heptan-2-imine?
1,7,7-trimethyl-N-(naphthalen-1-ylmethoxy)bicyclo[2.2.1]heptan-2-imine has a molecular weight of 307.44 g/mol, XLogP of 5.56, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7,7-trimethyl-N-(naphthalen-1-ylmethoxy)bicyclo[2.2.1]heptan-2-imine is sourced from PubChem (CID 73122063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).