3-amino-3-ethyl-1-naphthalen-1-ylpentan-2-one

C17H21NO — CID 116592613

IUPAC3-amino-3-ethyl-1-naphthalen-1-ylpentan-2-one
SMILESCCC(N)(CC)C(=O)Cc1cccc2ccccc12
InChIInChI=1S/C17H21NO/c1-3-17(18,4-2)16(19)12-14-10-7-9-13-8-5-6-11-15(13)14/h5-11H,3-4,12,18H2,1-2H3
InChIKeyYJMNLCRQTPSVPW-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.47
Rot. Bonds5

About 3-amino-3-ethyl-1-naphthalen-1-ylpentan-2-one

3-amino-3-ethyl-1-naphthalen-1-ylpentan-2-one (PubChem CID 116592613) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is 3-amino-3-ethyl-1-naphthalen-1-ylpentan-2-one.

Molecular Properties

Compound Name3-amino-3-ethyl-1-naphthalen-1-ylpentan-2-one
PubChem CID116592613
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name3-amino-3-ethyl-1-naphthalen-1-ylpentan-2-one
SMILESCCC(N)(CC)C(=O)Cc1cccc2ccccc12
InChIInChI=1S/C17H21NO/c1-3-17(18,4-2)16(19)12-14-10-7-9-13-8-5-6-11-15(13)14/h5-11H,3-4,12,18H2,1-2H3
InChIKeyYJMNLCRQTPSVPW-UHFFFAOYSA-N
XLogP3.47
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-naphthalen-1-ylbutan-2-one
CID 4564544
acetic acid;2-naphthalen-1-ylacetic acid
CID 67744523
tetrakis(2-naphthalen-1-ylacetic acid);samarium
CID 175232376
azane;1-ethylnaphthalene
CID 19048185
3-methyl-1-naphthalen-1-ylbutan-2-one
CID 12922161
4,4-dimethyl-1-naphthalen-1-ylpentan-2-one
CID 61055866
2,2-dimethyl-3-naphthalen-1-ylpropanamide
CID 90911277
N-(1-amino-2-methylpropan-2-yl)-2-naphthalen-1-ylacetamide;hydrochloride
CID 119523894
ethyl (2S)-2-amino-2-methyl-3-naphthalen-1-ylpropanoate
CID 11173902
3-amino-3-ethyl-1-(3-methylphenyl)pentan-2-one
CID 116592724
potassium;2-naphthalen-1-ylacetic acid;hydroxide
CID 174974988
5-methyl-6-naphthalen-1-ylhex-4-en-2-one
CID 90716108

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-ethyl-1-naphthalen-1-ylpentan-2-one?
The IUPAC name of 3-amino-3-ethyl-1-naphthalen-1-ylpentan-2-one (CID 116592613) is 3-amino-3-ethyl-1-naphthalen-1-ylpentan-2-one.
What is the SMILES notation for 3-amino-3-ethyl-1-naphthalen-1-ylpentan-2-one?
The canonical SMILES for 3-amino-3-ethyl-1-naphthalen-1-ylpentan-2-one is CCC(N)(CC)C(=O)Cc1cccc2ccccc12.
What is the InChIKey of 3-amino-3-ethyl-1-naphthalen-1-ylpentan-2-one?
The InChIKey is YJMNLCRQTPSVPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-3-17(18,4-2)16(19)12-14-10-7-9-13-8-5-6-11-15(13)14/h5-11H,3-4,12,18H2,1-2H3.
What are the key properties of 3-amino-3-ethyl-1-naphthalen-1-ylpentan-2-one?
3-amino-3-ethyl-1-naphthalen-1-ylpentan-2-one has a molecular weight of 255.36 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-ethyl-1-naphthalen-1-ylpentan-2-one is sourced from PubChem (CID 116592613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).