N-propoxy-1-(1,4,5,8-tetramethoxynaphthalen-2-yl)tridecan-1-imine

C30H47NO5 — CID 142629408

IUPACN-propoxy-1-(1,4,5,8-tetramethoxynaphthalen-2-yl)tridecan-1-imine
SMILESCCCCCCCCCCCCC(=NOCCC)c1cc(OC)c2c(OC)ccc(OC)c2c1OC
InChIInChI=1S/C30H47NO5/c1-7-9-10-11-12-13-14-15-16-17-18-24(31-36-21-8-2)23-22-27(34-5)28-25(32-3)19-20-26(33-4)29(28)30(23)35-6/h19-20,22H,7-18,21H2,1-6H3
InChIKeyIPXIBHDFMXFIEA-UHFFFAOYSA-N
MW501.71 g/mol
LogP8.32
Rot. Bonds19

About N-propoxy-1-(1,4,5,8-tetramethoxynaphthalen-2-yl)tridecan-1-imine

N-propoxy-1-(1,4,5,8-tetramethoxynaphthalen-2-yl)tridecan-1-imine (PubChem CID 142629408) has the molecular formula C30H47NO5 and a molecular weight of 501.71 g/mol. Its IUPAC name is N-propoxy-1-(1,4,5,8-tetramethoxynaphthalen-2-yl)tridecan-1-imine.

Molecular Properties

Compound NameN-propoxy-1-(1,4,5,8-tetramethoxynaphthalen-2-yl)tridecan-1-imine
PubChem CID142629408
Molecular FormulaC30H47NO5
Molecular Weight501.71 g/mol
Exact Mass501.35
IUPAC NameN-propoxy-1-(1,4,5,8-tetramethoxynaphthalen-2-yl)tridecan-1-imine
SMILESCCCCCCCCCCCCC(=NOCCC)c1cc(OC)c2c(OC)ccc(OC)c2c1OC
InChIInChI=1S/C30H47NO5/c1-7-9-10-11-12-13-14-15-16-17-18-24(31-36-21-8-2)23-22-27(34-5)28-25(32-3)19-20-26(33-4)29(28)30(23)35-6/h19-20,22H,7-18,21H2,1-6H3
InChIKeyIPXIBHDFMXFIEA-UHFFFAOYSA-N
XLogP8.32
TPSA58.51 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds19
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.71
LogP ≤ 58.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-propoxy-1-(1,4,5,8-tetramethoxynaphthalen-2-yl)nonan-1-imine
CID 142629347
[1-(1,4,5,8-tetramethoxynaphthalen-2-yl)undecylideneamino] propanoate
CID 142629404
[1-(1,4,5,8-tetramethoxynaphthalen-2-yl)propylideneamino] decanoate
CID 142629384
1-(1,4,5,8-tetramethoxynaphthalen-2-yl)decan-1-one
CID 10834959
5,8-dimethoxy-6-[(Z)-C-nonyl-N-propoxycarbonimidoyl]naphthalene-1,4-dione
CID 177424672
6-[(E)-C-decyl-N-propoxycarbonimidoyl]-5,8-dimethoxynaphthalene-1,4-dione
CID 10551239
4-methyl-N-phenylmethoxy-1-(1,4,5,8-tetramethoxynaphthalen-2-yl)pent-3-en-1-imine
CID 141167060
(NZ)-N-[1-(2,4-dimethoxyphenyl)dodecylidene]hydroxylamine
CID 6534422
6-[(E)-C-heptyl-N-hydroxycarbonimidoyl]-5,8-dimethoxynaphthalene-1,4-dione
CID 10594625
6-(C-hexyl-N-hydroxycarbonimidoyl)-5,8-dimethoxynaphthalene-1,4-dione
CID 86206538
1,4,5,8-tetramethoxynaphthalene-2-carboxamide
CID 15362247
2-(1-heptoxy-4-methylpentyl)-1,4,5,8-tetramethoxynaphthalene
CID 21468102

Frequently Asked Questions

What is the IUPAC name of N-propoxy-1-(1,4,5,8-tetramethoxynaphthalen-2-yl)tridecan-1-imine?
The IUPAC name of N-propoxy-1-(1,4,5,8-tetramethoxynaphthalen-2-yl)tridecan-1-imine (CID 142629408) is N-propoxy-1-(1,4,5,8-tetramethoxynaphthalen-2-yl)tridecan-1-imine.
What is the SMILES notation for N-propoxy-1-(1,4,5,8-tetramethoxynaphthalen-2-yl)tridecan-1-imine?
The canonical SMILES for N-propoxy-1-(1,4,5,8-tetramethoxynaphthalen-2-yl)tridecan-1-imine is CCCCCCCCCCCCC(=NOCCC)c1cc(OC)c2c(OC)ccc(OC)c2c1OC.
What is the InChIKey of N-propoxy-1-(1,4,5,8-tetramethoxynaphthalen-2-yl)tridecan-1-imine?
The InChIKey is IPXIBHDFMXFIEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H47NO5/c1-7-9-10-11-12-13-14-15-16-17-18-24(31-36-21-8-2)23-22-27(34-5)28-25(32-3)19-20-26(33-4)29(28)30(23)35-6/h19-20,22H,7-18,21H2,1-6H3.
What are the key properties of N-propoxy-1-(1,4,5,8-tetramethoxynaphthalen-2-yl)tridecan-1-imine?
N-propoxy-1-(1,4,5,8-tetramethoxynaphthalen-2-yl)tridecan-1-imine has a molecular weight of 501.71 g/mol, XLogP of 8.32, 19 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-propoxy-1-(1,4,5,8-tetramethoxynaphthalen-2-yl)tridecan-1-imine is sourced from PubChem (CID 142629408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).