[(7-ethyl-8-methyl-3-bicyclo[4.1.1]octa-2,4-dienyl)amino]methanol

C12H19NO — CID 89289051

IUPAC[(7-ethyl-8-methyl-3-bicyclo[4.1.1]octa-2,4-dienyl)amino]methanol
SMILESCCC1C2C=CC(NCO)=CC1C2C
InChIInChI=1S/C12H19NO/c1-3-10-11-5-4-9(13-7-14)6-12(10)8(11)2/h4-6,8,10-14H,3,7H2,1-2H3
InChIKeyXIHLMEDMRBWACL-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.89
Rot. Bonds3

About [(7-ethyl-8-methyl-3-bicyclo[4.1.1]octa-2,4-dienyl)amino]methanol

[(7-ethyl-8-methyl-3-bicyclo[4.1.1]octa-2,4-dienyl)amino]methanol (PubChem CID 89289051) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is [(7-ethyl-8-methyl-3-bicyclo[4.1.1]octa-2,4-dienyl)amino]methanol.

Molecular Properties

Compound Name[(7-ethyl-8-methyl-3-bicyclo[4.1.1]octa-2,4-dienyl)amino]methanol
PubChem CID89289051
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name[(7-ethyl-8-methyl-3-bicyclo[4.1.1]octa-2,4-dienyl)amino]methanol
SMILESCCC1C2C=CC(NCO)=CC1C2C
InChIInChI=1S/C12H19NO/c1-3-10-11-5-4-9(13-7-14)6-12(10)8(11)2/h4-6,8,10-14H,3,7H2,1-2H3
InChIKeyXIHLMEDMRBWACL-UHFFFAOYSA-N
XLogP1.89
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(7-ethyl-8-methyl-3-bicyclo[4.1.1]octa-2,4-dienyl)amino]methanol?
The IUPAC name of [(7-ethyl-8-methyl-3-bicyclo[4.1.1]octa-2,4-dienyl)amino]methanol (CID 89289051) is [(7-ethyl-8-methyl-3-bicyclo[4.1.1]octa-2,4-dienyl)amino]methanol.
What is the SMILES notation for [(7-ethyl-8-methyl-3-bicyclo[4.1.1]octa-2,4-dienyl)amino]methanol?
The canonical SMILES for [(7-ethyl-8-methyl-3-bicyclo[4.1.1]octa-2,4-dienyl)amino]methanol is CCC1C2C=CC(NCO)=CC1C2C.
What is the InChIKey of [(7-ethyl-8-methyl-3-bicyclo[4.1.1]octa-2,4-dienyl)amino]methanol?
The InChIKey is XIHLMEDMRBWACL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-3-10-11-5-4-9(13-7-14)6-12(10)8(11)2/h4-6,8,10-14H,3,7H2,1-2H3.
What are the key properties of [(7-ethyl-8-methyl-3-bicyclo[4.1.1]octa-2,4-dienyl)amino]methanol?
[(7-ethyl-8-methyl-3-bicyclo[4.1.1]octa-2,4-dienyl)amino]methanol has a molecular weight of 193.29 g/mol, XLogP of 1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(7-ethyl-8-methyl-3-bicyclo[4.1.1]octa-2,4-dienyl)amino]methanol is sourced from PubChem (CID 89289051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).