(3-aminocyclobutyl)-(6-methylnaphthalen-2-yl)methanone

C16H17NO — CID 116917790

IUPAC(3-aminocyclobutyl)-(6-methylnaphthalen-2-yl)methanone
SMILESCc1ccc2cc(C(=O)C3CC(N)C3)ccc2c1
InChIInChI=1S/C16H17NO/c1-10-2-3-12-7-13(5-4-11(12)6-10)16(18)14-8-15(17)9-14/h2-7,14-15H,8-9,17H2,1H3
InChIKeyNUINZYAXTKTLKB-UHFFFAOYSA-N
MW239.32 g/mol
LogP3.07
Rot. Bonds2

About (3-aminocyclobutyl)-(6-methylnaphthalen-2-yl)methanone

(3-aminocyclobutyl)-(6-methylnaphthalen-2-yl)methanone (PubChem CID 116917790) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is (3-aminocyclobutyl)-(6-methylnaphthalen-2-yl)methanone.

Molecular Properties

Compound Name(3-aminocyclobutyl)-(6-methylnaphthalen-2-yl)methanone
PubChem CID116917790
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC Name(3-aminocyclobutyl)-(6-methylnaphthalen-2-yl)methanone
SMILESCc1ccc2cc(C(=O)C3CC(N)C3)ccc2c1
InChIInChI=1S/C16H17NO/c1-10-2-3-12-7-13(5-4-11(12)6-10)16(18)14-8-15(17)9-14/h2-7,14-15H,8-9,17H2,1H3
InChIKeyNUINZYAXTKTLKB-UHFFFAOYSA-N
XLogP3.07
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-aminocyclobutyl)-(2,4-dimethylphenyl)methanone
CID 116917672
(3-aminocyclobutyl)-(2,5-dimethylphenyl)methanone
CID 116917656
(3-aminocyclobutyl)-(4-methoxy-3-methylphenyl)methanone
CID 116917663
(3-aminocyclopentyl)-(4-methylphenyl)methanone
CID 116587095
(3-aminocyclobutyl)-(4-chlorophenyl)methanone
CID 116917659
mercury(2+);bis(6-methylnaphthalene-2-carboxylate)
CID 22604897
(3-aminocyclohexyl)-(2-methylquinolin-6-yl)methanone
CID 116568855
(3-aminocyclohexyl)-(3,4-dimethylphenyl)methanone
CID 116568873
(6-methylnaphthalen-2-yl)-pyrrolidin-2-ylmethanone
CID 116916835
2-methyl-1-(6-methylnaphthalen-2-yl)propan-1-one
CID 13199366
2-(6-methylnaphthalen-2-yl)-2-oxoacetaldehyde
CID 15032601
(3-aminocyclobutyl)-(2,2-difluoro-1,3-benzodioxol-5-yl)methanone
CID 116998293

Frequently Asked Questions

What is the IUPAC name of (3-aminocyclobutyl)-(6-methylnaphthalen-2-yl)methanone?
The IUPAC name of (3-aminocyclobutyl)-(6-methylnaphthalen-2-yl)methanone (CID 116917790) is (3-aminocyclobutyl)-(6-methylnaphthalen-2-yl)methanone.
What is the SMILES notation for (3-aminocyclobutyl)-(6-methylnaphthalen-2-yl)methanone?
The canonical SMILES for (3-aminocyclobutyl)-(6-methylnaphthalen-2-yl)methanone is Cc1ccc2cc(C(=O)C3CC(N)C3)ccc2c1.
What is the InChIKey of (3-aminocyclobutyl)-(6-methylnaphthalen-2-yl)methanone?
The InChIKey is NUINZYAXTKTLKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO/c1-10-2-3-12-7-13(5-4-11(12)6-10)16(18)14-8-15(17)9-14/h2-7,14-15H,8-9,17H2,1H3.
What are the key properties of (3-aminocyclobutyl)-(6-methylnaphthalen-2-yl)methanone?
(3-aminocyclobutyl)-(6-methylnaphthalen-2-yl)methanone has a molecular weight of 239.32 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminocyclobutyl)-(6-methylnaphthalen-2-yl)methanone is sourced from PubChem (CID 116917790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).