2,3-dimethyl-1,4-dihydronaphthalene;5-methyliminohexan-3-one

C19H27NO — CID 91126999

IUPAC2,3-dimethyl-1,4-dihydronaphthalene;5-methyliminohexan-3-one
SMILESCC1=C(C)Cc2ccccc2C1.CCC(=O)C/C(C)=N/C
InChIInChI=1S/C12H14.C7H13NO/c1-9-7-11-5-3-4-6-12(11)8-10(9)2;1-4-7(9)5-6(2)8-3/h3-6H,7-8H2,1-2H3;4-5H2,1-3H3/b;8-6+
InChIKeyKYZNSKYQIFQOMM-ZQGZPJDTSA-N
MW285.43 g/mol
LogP4.57
Rot. Bonds3

About 2,3-dimethyl-1,4-dihydronaphthalene;5-methyliminohexan-3-one

2,3-dimethyl-1,4-dihydronaphthalene;5-methyliminohexan-3-one (PubChem CID 91126999) has the molecular formula C19H27NO and a molecular weight of 285.43 g/mol. Its IUPAC name is 2,3-dimethyl-1,4-dihydronaphthalene;5-methyliminohexan-3-one.

Molecular Properties

Compound Name2,3-dimethyl-1,4-dihydronaphthalene;5-methyliminohexan-3-one
PubChem CID91126999
Molecular FormulaC19H27NO
Molecular Weight285.43 g/mol
Exact Mass285.21
IUPAC Name2,3-dimethyl-1,4-dihydronaphthalene;5-methyliminohexan-3-one
SMILESCC1=C(C)Cc2ccccc2C1.CCC(=O)C/C(C)=N/C
InChIInChI=1S/C12H14.C7H13NO/c1-9-7-11-5-3-4-6-12(11)8-10(9)2;1-4-7(9)5-6(2)8-3/h3-6H,7-8H2,1-2H3;4-5H2,1-3H3/b;8-6+
InChIKeyKYZNSKYQIFQOMM-ZQGZPJDTSA-N
XLogP4.57
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

butan-2-one;tetrakis(2,3-dimethyl-1,4-dihydronaphthalene);ethane;3-ethyl-5-methyl-2H-pyrrole;hexane-2,4-dione
CID 169427463
2,3-dimethyl-1,4-dihydronaphthalene;1-ethyl-1-methylurea
CID 91368544
(5E)-5-triphenylsilyloxyiminohexan-3-one
CID 88531904
(4-oxohexan-2-ylideneamino) benzenesulfonate
CID 173378651
2,3-dimethyl-1,4-dihydronaphthalene;1-(1-ethylimidazol-2-yl)ethanone
CID 90827226
butan-2-imine;butan-2-ol;2,3-dimethyl-1,4-dihydronaphthalene
CID 91573857
5-methyl-6-phenylhex-5-en-3-one
CID 71411119
9H-fluorene;propanoic acid
CID 67831567
bicyclo[4.1.0]hepta-1,3,5-triene;N-ethylethanamine
CID 175235402
ethane;9H-fluorene;propanoic acid
CID 90836645
bis(2-acetyl-3H-inden-1-olate);ethanolate;titanium
CID 50937225
butane;2,3-dimethyl-1,4-dihydronaphthalene;propan-1-imine
CID 91511684

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-1,4-dihydronaphthalene;5-methyliminohexan-3-one?
The IUPAC name of 2,3-dimethyl-1,4-dihydronaphthalene;5-methyliminohexan-3-one (CID 91126999) is 2,3-dimethyl-1,4-dihydronaphthalene;5-methyliminohexan-3-one.
What is the SMILES notation for 2,3-dimethyl-1,4-dihydronaphthalene;5-methyliminohexan-3-one?
The canonical SMILES for 2,3-dimethyl-1,4-dihydronaphthalene;5-methyliminohexan-3-one is CC1=C(C)Cc2ccccc2C1.CCC(=O)C/C(C)=N/C.
What is the InChIKey of 2,3-dimethyl-1,4-dihydronaphthalene;5-methyliminohexan-3-one?
The InChIKey is KYZNSKYQIFQOMM-ZQGZPJDTSA-N. The full InChI is InChI=1S/C12H14.C7H13NO/c1-9-7-11-5-3-4-6-12(11)8-10(9)2;1-4-7(9)5-6(2)8-3/h3-6H,7-8H2,1-2H3;4-5H2,1-3H3/b;8-6+.
What are the key properties of 2,3-dimethyl-1,4-dihydronaphthalene;5-methyliminohexan-3-one?
2,3-dimethyl-1,4-dihydronaphthalene;5-methyliminohexan-3-one has a molecular weight of 285.43 g/mol, XLogP of 4.57, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-1,4-dihydronaphthalene;5-methyliminohexan-3-one is sourced from PubChem (CID 91126999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).