4-amino-3-methyl-1-naphthalen-1-ylbutan-2-one

C15H17NO — CID 116564413

IUPAC4-amino-3-methyl-1-naphthalen-1-ylbutan-2-one
SMILESCC(CN)C(=O)Cc1cccc2ccccc12
InChIInChI=1S/C15H17NO/c1-11(10-16)15(17)9-13-7-4-6-12-5-2-3-8-14(12)13/h2-8,11H,9-10,16H2,1H3
InChIKeyLKCWLQHPVQELRF-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.55
Rot. Bonds4

About 4-amino-3-methyl-1-naphthalen-1-ylbutan-2-one

4-amino-3-methyl-1-naphthalen-1-ylbutan-2-one (PubChem CID 116564413) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is 4-amino-3-methyl-1-naphthalen-1-ylbutan-2-one.

Molecular Properties

Compound Name4-amino-3-methyl-1-naphthalen-1-ylbutan-2-one
PubChem CID116564413
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC Name4-amino-3-methyl-1-naphthalen-1-ylbutan-2-one
SMILESCC(CN)C(=O)Cc1cccc2ccccc12
InChIInChI=1S/C15H17NO/c1-11(10-16)15(17)9-13-7-4-6-12-5-2-3-8-14(12)13/h2-8,11H,9-10,16H2,1H3
InChIKeyLKCWLQHPVQELRF-UHFFFAOYSA-N
XLogP2.55
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-1-naphthalen-1-ylbutan-2-one
CID 12922161
4-amino-3-methyl-1-(2-methylphenyl)butan-2-one
CID 116564539
amino 2-methyl-3-naphthalen-1-ylpropanoate
CID 174381788
2-(2-naphthalen-1-ylethoxy)propanamide
CID 90988420
4-amino-3-methyl-1-quinolin-2-ylbutan-2-one
CID 116564666
(2R)-2-methyl-3-naphthalen-1-ylpropan-1-amine
CID 37134613
acetic acid;2-naphthalen-1-ylacetic acid
CID 67744523
N-(5-amino-4-methylpentyl)-2-naphthalen-1-ylacetamide
CID 106152740
tetrakis(2-naphthalen-1-ylacetic acid);samarium
CID 175232376
hexakis(2-naphthalen-1-ylacetate);hexakis(oxygen(2-));hexakis(propan-2-olate);hexakis(titanium(4+))
CID 139170861
1-naphthalen-1-ylbutan-2-one
CID 4564544
N-(3-aminopropyl)-2-naphthalen-1-yl-N-propan-2-ylacetamide
CID 43319276

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methyl-1-naphthalen-1-ylbutan-2-one?
The IUPAC name of 4-amino-3-methyl-1-naphthalen-1-ylbutan-2-one (CID 116564413) is 4-amino-3-methyl-1-naphthalen-1-ylbutan-2-one.
What is the SMILES notation for 4-amino-3-methyl-1-naphthalen-1-ylbutan-2-one?
The canonical SMILES for 4-amino-3-methyl-1-naphthalen-1-ylbutan-2-one is CC(CN)C(=O)Cc1cccc2ccccc12.
What is the InChIKey of 4-amino-3-methyl-1-naphthalen-1-ylbutan-2-one?
The InChIKey is LKCWLQHPVQELRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO/c1-11(10-16)15(17)9-13-7-4-6-12-5-2-3-8-14(12)13/h2-8,11H,9-10,16H2,1H3.
What are the key properties of 4-amino-3-methyl-1-naphthalen-1-ylbutan-2-one?
4-amino-3-methyl-1-naphthalen-1-ylbutan-2-one has a molecular weight of 227.31 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methyl-1-naphthalen-1-ylbutan-2-one is sourced from PubChem (CID 116564413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).