8-(diethylamino)-4-methyl-3,4,4a,5,8,8a-hexahydro-2H-naphthalen-1-one

C15H25NO — CID 10776147

IUPAC8-(diethylamino)-4-methyl-3,4,4a,5,8,8a-hexahydro-2H-naphthalen-1-one
SMILESCCN(CC)C1C=CCC2C(C)CCC(=O)C21
InChIInChI=1S/C15H25NO/c1-4-16(5-2)13-8-6-7-12-11(3)9-10-14(17)15(12)13/h6,8,11-13,15H,4-5,7,9-10H2,1-3H3
InChIKeyRVJZFAITWYHPOD-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.89
Rot. Bonds3

About 8-(diethylamino)-4-methyl-3,4,4a,5,8,8a-hexahydro-2H-naphthalen-1-one

8-(diethylamino)-4-methyl-3,4,4a,5,8,8a-hexahydro-2H-naphthalen-1-one (PubChem CID 10776147) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 8-(diethylamino)-4-methyl-3,4,4a,5,8,8a-hexahydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name8-(diethylamino)-4-methyl-3,4,4a,5,8,8a-hexahydro-2H-naphthalen-1-one
PubChem CID10776147
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name8-(diethylamino)-4-methyl-3,4,4a,5,8,8a-hexahydro-2H-naphthalen-1-one
SMILESCCN(CC)C1C=CCC2C(C)CCC(=O)C21
InChIInChI=1S/C15H25NO/c1-4-16(5-2)13-8-6-7-12-11(3)9-10-14(17)15(12)13/h6,8,11-13,15H,4-5,7,9-10H2,1-3H3
InChIKeyRVJZFAITWYHPOD-UHFFFAOYSA-N
XLogP2.89
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 8-(diethylamino)-4-methyl-3,4,4a,5,8,8a-hexahydro-2H-naphthalen-1-one with MolForge

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Related Compounds

tricyclo[5.3.0.02,6]dec-8-en-3-one
CID 130038201
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CID 58906730
(4aS,5S,8aS)-5-ethyl-2,3,4a,5,8,8a-hexahydronaphthalene-1,4-dione
CID 102009345
(1S,4aS,4bS,8S,8aS,9aS)-1,8-dimethyl-1,4,4a,4b,5,8,8a,9a-octahydrofluoren-9-one
CID 10910958
(3aS,3bR,6aS,7aR)-7-methyl-3,3a,3b,4,5,6a,7,7a-octahydro-2H-cyclopenta[a]pentalene-1,6-dione
CID 12882597
6-propylbicyclo[3.1.0]hexan-2-one
CID 69061464
(1S,2S,6S,7S)-tricyclo[5.3.0.02,6]decane-3,10-dione
CID 2752996
(1S,5R)-6-ethoxybicyclo[3.1.0]hexan-2-one
CID 89135582
(1R,5R,7R)-7-methylbicyclo[3.2.0]heptan-2-one
CID 129321356
(3aS,4R,6aR)-4-methyl-3,3a,4,5,6,6a-hexahydro-2H-pentalen-1-one
CID 14045037
(3R)-3-methyl-2-(2-methylidenebutyl)cyclopentan-1-one
CID 117069569
4-(3-methylcyclohexa-1,5-dien-1-yl)cyclohexane-1,3-dione
CID 118260590

Frequently Asked Questions

What is the IUPAC name of 8-(diethylamino)-4-methyl-3,4,4a,5,8,8a-hexahydro-2H-naphthalen-1-one?
The IUPAC name of 8-(diethylamino)-4-methyl-3,4,4a,5,8,8a-hexahydro-2H-naphthalen-1-one (CID 10776147) is 8-(diethylamino)-4-methyl-3,4,4a,5,8,8a-hexahydro-2H-naphthalen-1-one.
What is the SMILES notation for 8-(diethylamino)-4-methyl-3,4,4a,5,8,8a-hexahydro-2H-naphthalen-1-one?
The canonical SMILES for 8-(diethylamino)-4-methyl-3,4,4a,5,8,8a-hexahydro-2H-naphthalen-1-one is CCN(CC)C1C=CCC2C(C)CCC(=O)C21.
What is the InChIKey of 8-(diethylamino)-4-methyl-3,4,4a,5,8,8a-hexahydro-2H-naphthalen-1-one?
The InChIKey is RVJZFAITWYHPOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-4-16(5-2)13-8-6-7-12-11(3)9-10-14(17)15(12)13/h6,8,11-13,15H,4-5,7,9-10H2,1-3H3.
What are the key properties of 8-(diethylamino)-4-methyl-3,4,4a,5,8,8a-hexahydro-2H-naphthalen-1-one?
8-(diethylamino)-4-methyl-3,4,4a,5,8,8a-hexahydro-2H-naphthalen-1-one has a molecular weight of 235.37 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(diethylamino)-4-methyl-3,4,4a,5,8,8a-hexahydro-2H-naphthalen-1-one is sourced from PubChem (CID 10776147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).