[(2R)-oxolan-2-yl]methyl-[(2-prop-2-enoxynaphthalen-1-yl)methyl]azanium

C19H24NO2+ — CID 2111518

IUPAC[(2R)-oxolan-2-yl]methyl-[(2-prop-2-enoxynaphthalen-1-yl)methyl]azanium
SMILESC=CCOc1ccc2ccccc2c1C[NH2+]C[C@H]1CCCO1
InChIInChI=1S/C19H23NO2/c1-2-11-22-19-10-9-15-6-3-4-8-17(15)18(19)14-20-13-16-7-5-12-21-16/h2-4,6,8-10,16,20H,1,5,7,11-14H2/p+1/t16-/m1/s1
InChIKeySSWUYUKGOWYGSK-MRXNPFEDSA-O
MW298.41 g/mol
LogP2.65
Rot. Bonds7

About [(2R)-oxolan-2-yl]methyl-[(2-prop-2-enoxynaphthalen-1-yl)methyl]azanium

[(2R)-oxolan-2-yl]methyl-[(2-prop-2-enoxynaphthalen-1-yl)methyl]azanium (PubChem CID 2111518) has the molecular formula C19H24NO2+ and a molecular weight of 298.41 g/mol. Its IUPAC name is [(2R)-oxolan-2-yl]methyl-[(2-prop-2-enoxynaphthalen-1-yl)methyl]azanium.

Molecular Properties

Compound Name[(2R)-oxolan-2-yl]methyl-[(2-prop-2-enoxynaphthalen-1-yl)methyl]azanium
PubChem CID2111518
Molecular FormulaC19H24NO2+
Molecular Weight298.41 g/mol
Exact Mass298.18
IUPAC Name[(2R)-oxolan-2-yl]methyl-[(2-prop-2-enoxynaphthalen-1-yl)methyl]azanium
SMILESC=CCOc1ccc2ccccc2c1C[NH2+]C[C@H]1CCCO1
InChIInChI=1S/C19H23NO2/c1-2-11-22-19-10-9-15-6-3-4-8-17(15)18(19)14-20-13-16-7-5-12-21-16/h2-4,6,8-10,16,20H,1,5,7,11-14H2/p+1/t16-/m1/s1
InChIKeySSWUYUKGOWYGSK-MRXNPFEDSA-O
XLogP2.65
TPSA35.07 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(oxolan-2-yl)-N-[(2-prop-2-enoxynaphthalen-1-yl)methyl]methanamine
CID 2969882
1-[(2R)-oxolan-2-yl]-N-[(2-prop-2-enoxynaphthalen-1-yl)methyl]methanamine
CID 2111519
N-[[2-(oxolan-2-ylmethoxy)naphthalen-1-yl]methyl]prop-2-en-1-amine
CID 54849922
2-hydroxyethyl-[(2-prop-2-enoxynaphthalen-1-yl)methyl]azanium
CID 7937276
2-[2-(oxan-2-ylmethoxy)naphthalen-1-yl]ethanamine
CID 60905678
1-(oxolan-2-yl)-N-[[2-(oxolan-2-ylmethoxy)naphthalen-1-yl]methyl]methanamine
CID 54847849
N-[[2-(oxolan-2-ylmethoxy)naphthalen-1-yl]methyl]propan-1-amine
CID 54804932
N-[[2-(2-methylpropoxy)naphthalen-1-yl]methyl]-1-(oxolan-2-yl)methanamine
CID 54847821
2-(4-chloronaphthalen-1-yl)oxyethyl-[[(2R)-oxolan-2-yl]methyl]azanium
CID 2300272
oxirane;1-prop-2-enoxynaphthalene
CID 174790954
3-methyl-N-[[2-(oxolan-2-ylmethoxy)naphthalen-1-yl]methyl]cyclohexan-1-amine
CID 54848963
2-[[2-(oxolan-2-ylmethoxy)naphthalen-1-yl]methylamino]butan-1-ol
CID 54849479

Frequently Asked Questions

What is the IUPAC name of [(2R)-oxolan-2-yl]methyl-[(2-prop-2-enoxynaphthalen-1-yl)methyl]azanium?
The IUPAC name of [(2R)-oxolan-2-yl]methyl-[(2-prop-2-enoxynaphthalen-1-yl)methyl]azanium (CID 2111518) is [(2R)-oxolan-2-yl]methyl-[(2-prop-2-enoxynaphthalen-1-yl)methyl]azanium.
What is the SMILES notation for [(2R)-oxolan-2-yl]methyl-[(2-prop-2-enoxynaphthalen-1-yl)methyl]azanium?
The canonical SMILES for [(2R)-oxolan-2-yl]methyl-[(2-prop-2-enoxynaphthalen-1-yl)methyl]azanium is C=CCOc1ccc2ccccc2c1C[NH2+]C[C@H]1CCCO1.
What is the InChIKey of [(2R)-oxolan-2-yl]methyl-[(2-prop-2-enoxynaphthalen-1-yl)methyl]azanium?
The InChIKey is SSWUYUKGOWYGSK-MRXNPFEDSA-O. The full InChI is InChI=1S/C19H23NO2/c1-2-11-22-19-10-9-15-6-3-4-8-17(15)18(19)14-20-13-16-7-5-12-21-16/h2-4,6,8-10,16,20H,1,5,7,11-14H2/p+1/t16-/m1/s1.
What are the key properties of [(2R)-oxolan-2-yl]methyl-[(2-prop-2-enoxynaphthalen-1-yl)methyl]azanium?
[(2R)-oxolan-2-yl]methyl-[(2-prop-2-enoxynaphthalen-1-yl)methyl]azanium has a molecular weight of 298.41 g/mol, XLogP of 2.65, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-oxolan-2-yl]methyl-[(2-prop-2-enoxynaphthalen-1-yl)methyl]azanium is sourced from PubChem (CID 2111518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).