1-(6,7-dimethoxynaphthalen-2-yl)octan-3-imine;hydrochloride

C20H28ClNO2 — CID 88752703

IUPAC1-(6,7-dimethoxynaphthalen-2-yl)octan-3-imine;hydrochloride
SMILESCl.[H]/N=C(\CCCCC)CCc1ccc2cc(OC)c(OC)cc2c1
InChIInChI=1S/C20H27NO2.ClH/c1-4-5-6-7-18(21)11-9-15-8-10-16-13-19(22-2)20(23-3)14-17(16)12-15;/h8,10,12-14,21H,4-7,9,11H2,1-3H3;1H/b21-18+;
InChIKeyUCHXVNHFXLOVPB-GOSREXKOSA-N
MW349.90 g/mol
LogP5.81
Rot. Bonds9

About 1-(6,7-dimethoxynaphthalen-2-yl)octan-3-imine;hydrochloride

1-(6,7-dimethoxynaphthalen-2-yl)octan-3-imine;hydrochloride (PubChem CID 88752703) has the molecular formula C20H28ClNO2 and a molecular weight of 349.90 g/mol. Its IUPAC name is 1-(6,7-dimethoxynaphthalen-2-yl)octan-3-imine;hydrochloride.

Molecular Properties

Compound Name1-(6,7-dimethoxynaphthalen-2-yl)octan-3-imine;hydrochloride
PubChem CID88752703
Molecular FormulaC20H28ClNO2
Molecular Weight349.90 g/mol
Exact Mass349.18
IUPAC Name1-(6,7-dimethoxynaphthalen-2-yl)octan-3-imine;hydrochloride
SMILESCl.[H]/N=C(\CCCCC)CCc1ccc2cc(OC)c(OC)cc2c1
InChIInChI=1S/C20H27NO2.ClH/c1-4-5-6-7-18(21)11-9-15-8-10-16-13-19(22-2)20(23-3)14-17(16)12-15;/h8,10,12-14,21H,4-7,9,11H2,1-3H3;1H/b21-18+;
InChIKeyUCHXVNHFXLOVPB-GOSREXKOSA-N
XLogP5.81
TPSA42.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.90
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-(6,7-dimethoxynaphthalen-2-yl)ethanol
CID 12849270
6-(2-chloroethyl)-2,3-dimethoxynaphthalene
CID 20541850
N-[(6,7-dimethoxynaphthalen-2-yl)methyl]ethanamine;hydrochloride
CID 20541787
6-decyl-2-[4-(6-decyl-3-methoxynaphthalen-2-yl)-2-methoxy-5-methylphenyl]-3-methylnaphthalene
CID 118654585
methyl 3-(3,4-dimethoxyphenyl)propanimidate
CID 95445563
N-[2-(3,4-dimethoxyphenyl)ethyl]hexanamide
CID 5073739
1-(4-methoxyphenyl)nonan-3-one
CID 114966639
1-(4-methoxyphenyl)heptadecan-3-one
CID 91440727
2-octylanthracene
CID 23131226
3-(3,4-dimethoxyphenyl)-N-hexylpropanamide
CID 19220639
2-butyl-6-propylnaphthalene
CID 58232616
1-(3,4-dimethoxyphenyl)heptan-2-one
CID 61056663

Frequently Asked Questions

What is the IUPAC name of 1-(6,7-dimethoxynaphthalen-2-yl)octan-3-imine;hydrochloride?
The IUPAC name of 1-(6,7-dimethoxynaphthalen-2-yl)octan-3-imine;hydrochloride (CID 88752703) is 1-(6,7-dimethoxynaphthalen-2-yl)octan-3-imine;hydrochloride.
What is the SMILES notation for 1-(6,7-dimethoxynaphthalen-2-yl)octan-3-imine;hydrochloride?
The canonical SMILES for 1-(6,7-dimethoxynaphthalen-2-yl)octan-3-imine;hydrochloride is Cl.[H]/N=C(\CCCCC)CCc1ccc2cc(OC)c(OC)cc2c1.
What is the InChIKey of 1-(6,7-dimethoxynaphthalen-2-yl)octan-3-imine;hydrochloride?
The InChIKey is UCHXVNHFXLOVPB-GOSREXKOSA-N. The full InChI is InChI=1S/C20H27NO2.ClH/c1-4-5-6-7-18(21)11-9-15-8-10-16-13-19(22-2)20(23-3)14-17(16)12-15;/h8,10,12-14,21H,4-7,9,11H2,1-3H3;1H/b21-18+;.
What are the key properties of 1-(6,7-dimethoxynaphthalen-2-yl)octan-3-imine;hydrochloride?
1-(6,7-dimethoxynaphthalen-2-yl)octan-3-imine;hydrochloride has a molecular weight of 349.90 g/mol, XLogP of 5.81, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,7-dimethoxynaphthalen-2-yl)octan-3-imine;hydrochloride is sourced from PubChem (CID 88752703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).