2-amino-4,4-dimethyl-1-naphthalen-2-ylpentan-3-one

C17H21NO — CID 118082102

IUPAC2-amino-4,4-dimethyl-1-naphthalen-2-ylpentan-3-one
SMILESCC(C)(C)C(=O)C(N)Cc1ccc2ccccc2c1
InChIInChI=1S/C17H21NO/c1-17(2,3)16(19)15(18)11-12-8-9-13-6-4-5-7-14(13)10-12/h4-10,15H,11,18H2,1-3H3
InChIKeyPWSQLYGBHGDKMD-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.32
Rot. Bonds3

About 2-amino-4,4-dimethyl-1-naphthalen-2-ylpentan-3-one

2-amino-4,4-dimethyl-1-naphthalen-2-ylpentan-3-one (PubChem CID 118082102) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-amino-4,4-dimethyl-1-naphthalen-2-ylpentan-3-one.

Molecular Properties

Compound Name2-amino-4,4-dimethyl-1-naphthalen-2-ylpentan-3-one
PubChem CID118082102
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name2-amino-4,4-dimethyl-1-naphthalen-2-ylpentan-3-one
SMILESCC(C)(C)C(=O)C(N)Cc1ccc2ccccc2c1
InChIInChI=1S/C17H21NO/c1-17(2,3)16(19)15(18)11-12-8-9-13-6-4-5-7-14(13)10-12/h4-10,15H,11,18H2,1-3H3
InChIKeyPWSQLYGBHGDKMD-UHFFFAOYSA-N
XLogP3.32
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4,4-dimethyl-1-naphthalen-2-ylpentan-3-one?
The IUPAC name of 2-amino-4,4-dimethyl-1-naphthalen-2-ylpentan-3-one (CID 118082102) is 2-amino-4,4-dimethyl-1-naphthalen-2-ylpentan-3-one.
What is the SMILES notation for 2-amino-4,4-dimethyl-1-naphthalen-2-ylpentan-3-one?
The canonical SMILES for 2-amino-4,4-dimethyl-1-naphthalen-2-ylpentan-3-one is CC(C)(C)C(=O)C(N)Cc1ccc2ccccc2c1.
What is the InChIKey of 2-amino-4,4-dimethyl-1-naphthalen-2-ylpentan-3-one?
The InChIKey is PWSQLYGBHGDKMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-17(2,3)16(19)15(18)11-12-8-9-13-6-4-5-7-14(13)10-12/h4-10,15H,11,18H2,1-3H3.
What are the key properties of 2-amino-4,4-dimethyl-1-naphthalen-2-ylpentan-3-one?
2-amino-4,4-dimethyl-1-naphthalen-2-ylpentan-3-one has a molecular weight of 255.36 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4,4-dimethyl-1-naphthalen-2-ylpentan-3-one is sourced from PubChem (CID 118082102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).