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

C17H21NO — CID 116608473

IUPAC3-amino-4,4-dimethyl-1-naphthalen-2-ylpentan-1-one
SMILESCC(C)(C)C(N)CC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C17H21NO/c1-17(2,3)16(18)11-15(19)14-9-8-12-6-4-5-7-13(12)10-14/h4-10,16H,11,18H2,1-3H3
InChIKeyAEGSBCPEWWUGKZ-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.79
Rot. Bonds3

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

3-amino-4,4-dimethyl-1-naphthalen-2-ylpentan-1-one (PubChem CID 116608473) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is 3-amino-4,4-dimethyl-1-naphthalen-2-ylpentan-1-one.

Molecular Properties

Compound Name3-amino-4,4-dimethyl-1-naphthalen-2-ylpentan-1-one
PubChem CID116608473
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name3-amino-4,4-dimethyl-1-naphthalen-2-ylpentan-1-one
SMILESCC(C)(C)C(N)CC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C17H21NO/c1-17(2,3)16(18)11-15(19)14-9-8-12-6-4-5-7-13(12)10-14/h4-10,16H,11,18H2,1-3H3
InChIKeyAEGSBCPEWWUGKZ-UHFFFAOYSA-N
XLogP3.79
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 ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-5,5-dimethyl-1-naphthalen-2-ylhexan-1-one
CID 116614651
methyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-naphthalen-2-yl-4-oxobutanoate
CID 162417631
2-tert-butylsulfanyl-1-naphthalen-2-ylethanone
CID 60645601
3-methyl-1-naphthalen-2-ylhexan-1-one
CID 55187540
2-methyl-4-naphthalen-2-yl-4-oxobutanenitrile
CID 53372806
ethyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-naphthalen-2-yl-4-oxobutanoate
CID 101256982
1,4-dinaphthalen-2-ylbutane-1,4-dione
CID 593323
3-(aminomethyl)-5-methyl-1-naphthalen-2-ylhexan-1-one
CID 116576897
(2-naphthalen-2-yl-2-oxoethyl) (2S)-2-hydroxy-3-methylbutanoate
CID 57379444
(2R)-2-amino-1-naphthalen-2-ylpropan-1-one
CID 67852700
1-naphthalen-2-yl-2-propan-2-yloxyethanone
CID 79567011
(E,3S)-3-methyl-1-naphthalen-2-yl-5-phenylpent-4-en-1-one
CID 138969285

Frequently Asked Questions

What is the IUPAC name of 3-amino-4,4-dimethyl-1-naphthalen-2-ylpentan-1-one?
The IUPAC name of 3-amino-4,4-dimethyl-1-naphthalen-2-ylpentan-1-one (CID 116608473) is 3-amino-4,4-dimethyl-1-naphthalen-2-ylpentan-1-one.
What is the SMILES notation for 3-amino-4,4-dimethyl-1-naphthalen-2-ylpentan-1-one?
The canonical SMILES for 3-amino-4,4-dimethyl-1-naphthalen-2-ylpentan-1-one is CC(C)(C)C(N)CC(=O)c1ccc2ccccc2c1.
What is the InChIKey of 3-amino-4,4-dimethyl-1-naphthalen-2-ylpentan-1-one?
The InChIKey is AEGSBCPEWWUGKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-17(2,3)16(18)11-15(19)14-9-8-12-6-4-5-7-13(12)10-14/h4-10,16H,11,18H2,1-3H3.
What are the key properties of 3-amino-4,4-dimethyl-1-naphthalen-2-ylpentan-1-one?
3-amino-4,4-dimethyl-1-naphthalen-2-ylpentan-1-one has a molecular weight of 255.36 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4,4-dimethyl-1-naphthalen-2-ylpentan-1-one is sourced from PubChem (CID 116608473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).