N-[(2-hexoxynaphthalen-1-yl)methyl]prop-2-en-1-amine

C20H27NO — CID 54849892

IUPACN-[(2-hexoxynaphthalen-1-yl)methyl]prop-2-en-1-amine
SMILESC=CCNCc1c(OCCCCCC)ccc2ccccc12
InChIInChI=1S/C20H27NO/c1-3-5-6-9-15-22-20-13-12-17-10-7-8-11-18(17)19(20)16-21-14-4-2/h4,7-8,10-13,21H,2-3,5-6,9,14-16H2,1H3
InChIKeyVZTZFRLGXOOCIO-UHFFFAOYSA-N
MW297.44 g/mol
LogP5.07
Rot. Bonds10

About N-[(2-hexoxynaphthalen-1-yl)methyl]prop-2-en-1-amine

N-[(2-hexoxynaphthalen-1-yl)methyl]prop-2-en-1-amine (PubChem CID 54849892) has the molecular formula C20H27NO and a molecular weight of 297.44 g/mol. Its IUPAC name is N-[(2-hexoxynaphthalen-1-yl)methyl]prop-2-en-1-amine.

Molecular Properties

Compound NameN-[(2-hexoxynaphthalen-1-yl)methyl]prop-2-en-1-amine
PubChem CID54849892
Molecular FormulaC20H27NO
Molecular Weight297.44 g/mol
Exact Mass297.21
IUPAC NameN-[(2-hexoxynaphthalen-1-yl)methyl]prop-2-en-1-amine
SMILESC=CCNCc1c(OCCCCCC)ccc2ccccc12
InChIInChI=1S/C20H27NO/c1-3-5-6-9-15-22-20-13-12-17-10-7-8-11-18(17)19(20)16-21-14-4-2/h4,7-8,10-13,21H,2-3,5-6,9,14-16H2,1H3
InChIKeyVZTZFRLGXOOCIO-UHFFFAOYSA-N
XLogP5.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.44
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

N-[(2-butoxynaphthalen-1-yl)methyl]hexan-1-amine
CID 54805335
N-[(2-octoxynaphthalen-1-yl)methyl]-1-phenylmethanamine
CID 54803978
N-[(2-ethoxynaphthalen-1-yl)methyl]octan-1-amine
CID 4722807
N-[(2-heptoxynaphthalen-1-yl)methyl]propan-2-amine
CID 54849942
N-[(2-hexoxynaphthalen-1-yl)methyl]propan-2-amine
CID 54849913
1-(4-fluorophenyl)-N-[(2-pentoxynaphthalen-1-yl)methyl]methanamine
CID 54803956
N-[(2-butoxynaphthalen-1-yl)methyl]-1-phenylmethanamine
CID 54804070
N-[(2-butan-2-yloxynaphthalen-1-yl)methyl]prop-2-en-1-amine
CID 54849945
1-(bromomethyl)-2-hexoxynaphthalene
CID 43505804
1-(chloromethyl)-2-heptoxynaphthalene
CID 43505662
N-[[2-(2-methylpropoxy)naphthalen-1-yl]methyl]octan-1-amine
CID 54807559
N-[(2-butoxynaphthalen-1-yl)methyl]-N',N'-diethylethane-1,2-diamine
CID 54849521

Frequently Asked Questions

What is the IUPAC name of N-[(2-hexoxynaphthalen-1-yl)methyl]prop-2-en-1-amine?
The IUPAC name of N-[(2-hexoxynaphthalen-1-yl)methyl]prop-2-en-1-amine (CID 54849892) is N-[(2-hexoxynaphthalen-1-yl)methyl]prop-2-en-1-amine.
What is the SMILES notation for N-[(2-hexoxynaphthalen-1-yl)methyl]prop-2-en-1-amine?
The canonical SMILES for N-[(2-hexoxynaphthalen-1-yl)methyl]prop-2-en-1-amine is C=CCNCc1c(OCCCCCC)ccc2ccccc12.
What is the InChIKey of N-[(2-hexoxynaphthalen-1-yl)methyl]prop-2-en-1-amine?
The InChIKey is VZTZFRLGXOOCIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO/c1-3-5-6-9-15-22-20-13-12-17-10-7-8-11-18(17)19(20)16-21-14-4-2/h4,7-8,10-13,21H,2-3,5-6,9,14-16H2,1H3.
What are the key properties of N-[(2-hexoxynaphthalen-1-yl)methyl]prop-2-en-1-amine?
N-[(2-hexoxynaphthalen-1-yl)methyl]prop-2-en-1-amine has a molecular weight of 297.44 g/mol, XLogP of 5.07, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hexoxynaphthalen-1-yl)methyl]prop-2-en-1-amine is sourced from PubChem (CID 54849892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).