N-[(2-ethoxynaphthalen-1-yl)methyl]octan-1-amine

C21H31NO — CID 4722807

IUPACN-[(2-ethoxynaphthalen-1-yl)methyl]octan-1-amine
SMILESCCCCCCCCNCc1c(OCC)ccc2ccccc12
InChIInChI=1S/C21H31NO/c1-3-5-6-7-8-11-16-22-17-20-19-13-10-9-12-18(19)14-15-21(20)23-4-2/h9-10,12-15,22H,3-8,11,16-17H2,1-2H3
InChIKeyJTKOVGAVPLOQOG-UHFFFAOYSA-N
MW313.49 g/mol
LogP5.69
Rot. Bonds11

About N-[(2-ethoxynaphthalen-1-yl)methyl]octan-1-amine

N-[(2-ethoxynaphthalen-1-yl)methyl]octan-1-amine (PubChem CID 4722807) has the molecular formula C21H31NO and a molecular weight of 313.49 g/mol. Its IUPAC name is N-[(2-ethoxynaphthalen-1-yl)methyl]octan-1-amine.

Molecular Properties

Compound NameN-[(2-ethoxynaphthalen-1-yl)methyl]octan-1-amine
PubChem CID4722807
Molecular FormulaC21H31NO
Molecular Weight313.49 g/mol
Exact Mass313.24
IUPAC NameN-[(2-ethoxynaphthalen-1-yl)methyl]octan-1-amine
SMILESCCCCCCCCNCc1c(OCC)ccc2ccccc12
InChIInChI=1S/C21H31NO/c1-3-5-6-7-8-11-16-22-17-20-19-13-10-9-12-18(19)14-15-21(20)23-4-2/h9-10,12-15,22H,3-8,11,16-17H2,1-2H3
InChIKeyJTKOVGAVPLOQOG-UHFFFAOYSA-N
XLogP5.69
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.49
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-butoxynaphthalen-1-yl)methyl]hexan-1-amine
CID 54805335
N'-[(2-ethoxynaphthalen-1-yl)methyl]-N-ethylpropane-1,3-diamine;dihydrochloride
CID 17215613
N-[[2-(2-methylpropoxy)naphthalen-1-yl]methyl]octan-1-amine
CID 54807559
N-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methyl]heptan-1-amine;hydrochloride
CID 17054858
N-[(2-ethoxynaphthalen-1-yl)methyl]-3-propan-2-yloxypropan-1-amine
CID 17209000
N-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methyl]pentan-1-amine
CID 4722236
N-tert-butyl-2-[1-[(octylamino)methyl]naphthalen-2-yl]oxyacetamide
CID 17053725
N-tert-butyl-2-[1-[(heptylamino)methyl]naphthalen-2-yl]oxyacetamide
CID 17053671
N,N'-bis[[2-(2-methylpropoxy)naphthalen-1-yl]methyl]hexane-1,6-diamine
CID 44531940
N-tert-butyl-2-[1-[(heptylamino)methyl]naphthalen-2-yl]oxyacetamide;hydrochloride
CID 17053670
3-butoxy-N-[(2-propoxynaphthalen-1-yl)methyl]propan-1-amine
CID 29225674
N,N'-bis[[2-(cyclopropylmethoxy)naphthalen-1-yl]methyl]hexane-1,6-diamine
CID 44531762

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethoxynaphthalen-1-yl)methyl]octan-1-amine?
The IUPAC name of N-[(2-ethoxynaphthalen-1-yl)methyl]octan-1-amine (CID 4722807) is N-[(2-ethoxynaphthalen-1-yl)methyl]octan-1-amine.
What is the SMILES notation for N-[(2-ethoxynaphthalen-1-yl)methyl]octan-1-amine?
The canonical SMILES for N-[(2-ethoxynaphthalen-1-yl)methyl]octan-1-amine is CCCCCCCCNCc1c(OCC)ccc2ccccc12.
What is the InChIKey of N-[(2-ethoxynaphthalen-1-yl)methyl]octan-1-amine?
The InChIKey is JTKOVGAVPLOQOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31NO/c1-3-5-6-7-8-11-16-22-17-20-19-13-10-9-12-18(19)14-15-21(20)23-4-2/h9-10,12-15,22H,3-8,11,16-17H2,1-2H3.
What are the key properties of N-[(2-ethoxynaphthalen-1-yl)methyl]octan-1-amine?
N-[(2-ethoxynaphthalen-1-yl)methyl]octan-1-amine has a molecular weight of 313.49 g/mol, XLogP of 5.69, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethoxynaphthalen-1-yl)methyl]octan-1-amine is sourced from PubChem (CID 4722807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).