3-butylimino-1-naphthalen-2-ylpropan-1-one

C17H19NO — CID 91523483

IUPAC3-butylimino-1-naphthalen-2-ylpropan-1-one
SMILESCCCC/N=C/CC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C17H19NO/c1-2-3-11-18-12-10-17(19)16-9-8-14-6-4-5-7-15(14)13-16/h4-9,12-13H,2-3,10-11H2,1H3/b18-12+
InChIKeyCGFFZXIXZSQOGI-LDADJPATSA-N
MW253.34 g/mol
LogP4.28
Rot. Bonds6

About 3-butylimino-1-naphthalen-2-ylpropan-1-one

3-butylimino-1-naphthalen-2-ylpropan-1-one (PubChem CID 91523483) has the molecular formula C17H19NO and a molecular weight of 253.34 g/mol. Its IUPAC name is 3-butylimino-1-naphthalen-2-ylpropan-1-one.

Molecular Properties

Compound Name3-butylimino-1-naphthalen-2-ylpropan-1-one
PubChem CID91523483
Molecular FormulaC17H19NO
Molecular Weight253.34 g/mol
Exact Mass253.15
IUPAC Name3-butylimino-1-naphthalen-2-ylpropan-1-one
SMILESCCCC/N=C/CC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C17H19NO/c1-2-3-11-18-12-10-17(19)16-9-8-14-6-4-5-7-15(14)13-16/h4-9,12-13H,2-3,10-11H2,1H3/b18-12+
InChIKeyCGFFZXIXZSQOGI-LDADJPATSA-N
XLogP4.28
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3-ethylimino-1-naphthalen-2-ylpropan-1-one
CID 91601607
3-benzylimino-1-naphthalen-2-ylpropan-1-one
CID 91463586
1,4-dinaphthalen-2-ylbutane-1,4-dione
CID 593323
dodecyl-methyl-(2-naphthalen-2-yl-2-oxoethyl)sulfanium
CID 101026231
Te-butyl naphthalene-2-carbotelluroate
CID 10337284
N,N-dibutylnaphthalene-2-carboxamide
CID 154151885
triethyl-(2-naphthalen-2-yl-2-oxoethyl)azanium
CID 130452133
N-pentylnaphthalene-2-carboxamide
CID 91722098
3-methyl-1-naphthalen-2-ylhexan-1-one
CID 55187540
1-(6-butanoylnaphthalen-2-yl)butan-1-one
CID 170450514
N-octadecylnaphthalene-2-carboxamide
CID 20549010
N-heptylnaphthalene-2-carboxamide
CID 91722099

Frequently Asked Questions

What is the IUPAC name of 3-butylimino-1-naphthalen-2-ylpropan-1-one?
The IUPAC name of 3-butylimino-1-naphthalen-2-ylpropan-1-one (CID 91523483) is 3-butylimino-1-naphthalen-2-ylpropan-1-one.
What is the SMILES notation for 3-butylimino-1-naphthalen-2-ylpropan-1-one?
The canonical SMILES for 3-butylimino-1-naphthalen-2-ylpropan-1-one is CCCC/N=C/CC(=O)c1ccc2ccccc2c1.
What is the InChIKey of 3-butylimino-1-naphthalen-2-ylpropan-1-one?
The InChIKey is CGFFZXIXZSQOGI-LDADJPATSA-N. The full InChI is InChI=1S/C17H19NO/c1-2-3-11-18-12-10-17(19)16-9-8-14-6-4-5-7-15(14)13-16/h4-9,12-13H,2-3,10-11H2,1H3/b18-12+.
What are the key properties of 3-butylimino-1-naphthalen-2-ylpropan-1-one?
3-butylimino-1-naphthalen-2-ylpropan-1-one has a molecular weight of 253.34 g/mol, XLogP of 4.28, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butylimino-1-naphthalen-2-ylpropan-1-one is sourced from PubChem (CID 91523483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).