N-[[2-(oxolan-2-ylmethoxy)naphthalen-1-yl]methyl]prop-2-en-1-amine

C19H23NO2 — CID 54849922

IUPACN-[[2-(oxolan-2-ylmethoxy)naphthalen-1-yl]methyl]prop-2-en-1-amine
SMILESC=CCNCc1c(OCC2CCCO2)ccc2ccccc12
InChIInChI=1S/C19H23NO2/c1-2-11-20-13-18-17-8-4-3-6-15(17)9-10-19(18)22-14-16-7-5-12-21-16/h2-4,6,8-10,16,20H,1,5,7,11-14H2
InChIKeyYMILULWWQGXWCM-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.67
Rot. Bonds7

About N-[[2-(oxolan-2-ylmethoxy)naphthalen-1-yl]methyl]prop-2-en-1-amine

N-[[2-(oxolan-2-ylmethoxy)naphthalen-1-yl]methyl]prop-2-en-1-amine (PubChem CID 54849922) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is N-[[2-(oxolan-2-ylmethoxy)naphthalen-1-yl]methyl]prop-2-en-1-amine.

Molecular Properties

Compound NameN-[[2-(oxolan-2-ylmethoxy)naphthalen-1-yl]methyl]prop-2-en-1-amine
PubChem CID54849922
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC NameN-[[2-(oxolan-2-ylmethoxy)naphthalen-1-yl]methyl]prop-2-en-1-amine
SMILESC=CCNCc1c(OCC2CCCO2)ccc2ccccc12
InChIInChI=1S/C19H23NO2/c1-2-11-20-13-18-17-8-4-3-6-15(17)9-10-19(18)22-14-16-7-5-12-21-16/h2-4,6,8-10,16,20H,1,5,7,11-14H2
InChIKeyYMILULWWQGXWCM-UHFFFAOYSA-N
XLogP3.67
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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
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
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
N-[[2-(2-methylpropoxy)naphthalen-1-yl]methyl]-1-(oxolan-2-yl)methanamine
CID 54847821
2-[2-(oxan-2-ylmethoxy)naphthalen-1-yl]ethanamine
CID 60905678
[(2R)-oxolan-2-yl]methyl-[(2-prop-2-enoxynaphthalen-1-yl)methyl]azanium
CID 2111518
N-[[3-methoxy-2-(oxolan-2-ylmethoxy)phenyl]methyl]prop-2-en-1-amine
CID 54850191
N-[(2-hexoxynaphthalen-1-yl)methyl]prop-2-en-1-amine
CID 54849892
N-[[2-[(2-chloro-6-fluorophenyl)methoxy]naphthalen-1-yl]methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 51992125

Frequently Asked Questions

What is the IUPAC name of N-[[2-(oxolan-2-ylmethoxy)naphthalen-1-yl]methyl]prop-2-en-1-amine?
The IUPAC name of N-[[2-(oxolan-2-ylmethoxy)naphthalen-1-yl]methyl]prop-2-en-1-amine (CID 54849922) is N-[[2-(oxolan-2-ylmethoxy)naphthalen-1-yl]methyl]prop-2-en-1-amine.
What is the SMILES notation for N-[[2-(oxolan-2-ylmethoxy)naphthalen-1-yl]methyl]prop-2-en-1-amine?
The canonical SMILES for N-[[2-(oxolan-2-ylmethoxy)naphthalen-1-yl]methyl]prop-2-en-1-amine is C=CCNCc1c(OCC2CCCO2)ccc2ccccc12.
What is the InChIKey of N-[[2-(oxolan-2-ylmethoxy)naphthalen-1-yl]methyl]prop-2-en-1-amine?
The InChIKey is YMILULWWQGXWCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2/c1-2-11-20-13-18-17-8-4-3-6-15(17)9-10-19(18)22-14-16-7-5-12-21-16/h2-4,6,8-10,16,20H,1,5,7,11-14H2.
What are the key properties of N-[[2-(oxolan-2-ylmethoxy)naphthalen-1-yl]methyl]prop-2-en-1-amine?
N-[[2-(oxolan-2-ylmethoxy)naphthalen-1-yl]methyl]prop-2-en-1-amine has a molecular weight of 297.40 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(oxolan-2-ylmethoxy)naphthalen-1-yl]methyl]prop-2-en-1-amine is sourced from PubChem (CID 54849922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).