di(propan-2-yl)azanium;naphthalene-2-carboxylate

C17H23NO2 — CID 21407073

IUPACdi(propan-2-yl)azanium;naphthalene-2-carboxylate
SMILESCC(C)[NH2+]C(C)C.O=C([O-])c1ccc2ccccc2c1
InChIInChI=1S/C11H8O2.C6H15N/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10;1-5(2)7-6(3)4/h1-7H,(H,12,13);5-7H,1-4H3
InChIKeyZRXHUSNHFWYZJL-UHFFFAOYSA-N
MW273.38 g/mol
LogP1.57
Rot. Bonds3

About di(propan-2-yl)azanium;naphthalene-2-carboxylate

di(propan-2-yl)azanium;naphthalene-2-carboxylate (PubChem CID 21407073) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is di(propan-2-yl)azanium;naphthalene-2-carboxylate.

Molecular Properties

Compound Namedi(propan-2-yl)azanium;naphthalene-2-carboxylate
PubChem CID21407073
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Namedi(propan-2-yl)azanium;naphthalene-2-carboxylate
SMILESCC(C)[NH2+]C(C)C.O=C([O-])c1ccc2ccccc2c1
InChIInChI=1S/C11H8O2.C6H15N/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10;1-5(2)7-6(3)4/h1-7H,(H,12,13);5-7H,1-4H3
InChIKeyZRXHUSNHFWYZJL-UHFFFAOYSA-N
XLogP1.57
TPSA56.74 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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anthracene-2,6-dicarboxylate
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(2S)-2-hydroxy-1-naphthalen-2-ylpropan-1-one
CID 10130388
anthracene-2-carboxylate;[(1S)-1-cyclohexylethyl]azanium
CID 139190321
(2R)-2-amino-1-naphthalen-2-ylpropan-1-one
CID 67852700
(2R)-2-chloro-1-naphthalen-2-ylpropan-1-one
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Frequently Asked Questions

What is the IUPAC name of di(propan-2-yl)azanium;naphthalene-2-carboxylate?
The IUPAC name of di(propan-2-yl)azanium;naphthalene-2-carboxylate (CID 21407073) is di(propan-2-yl)azanium;naphthalene-2-carboxylate.
What is the SMILES notation for di(propan-2-yl)azanium;naphthalene-2-carboxylate?
The canonical SMILES for di(propan-2-yl)azanium;naphthalene-2-carboxylate is CC(C)[NH2+]C(C)C.O=C([O-])c1ccc2ccccc2c1.
What is the InChIKey of di(propan-2-yl)azanium;naphthalene-2-carboxylate?
The InChIKey is ZRXHUSNHFWYZJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8O2.C6H15N/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10;1-5(2)7-6(3)4/h1-7H,(H,12,13);5-7H,1-4H3.
What are the key properties of di(propan-2-yl)azanium;naphthalene-2-carboxylate?
di(propan-2-yl)azanium;naphthalene-2-carboxylate has a molecular weight of 273.38 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for di(propan-2-yl)azanium;naphthalene-2-carboxylate is sourced from PubChem (CID 21407073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).