ethane;2-methanimidoyl-N-(3-methoxypropyl)-5-methylaniline

C14H24N2O — CID 143562507

IUPACethane;2-methanimidoyl-N-(3-methoxypropyl)-5-methylaniline
SMILESCC.[H]/N=C/c1ccc(C)cc1NCCCOC
InChIInChI=1S/C12H18N2O.C2H6/c1-10-4-5-11(9-13)12(8-10)14-6-3-7-15-2;1-2/h4-5,8-9,13-14H,3,6-7H2,1-2H3;1-2H3/b13-9+;
InChIKeyFNODKXNLWZBHPL-KJEVSKRMSA-N
MW236.36 g/mol
LogP3.47
Rot. Bonds6

About ethane;2-methanimidoyl-N-(3-methoxypropyl)-5-methylaniline

ethane;2-methanimidoyl-N-(3-methoxypropyl)-5-methylaniline (PubChem CID 143562507) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is ethane;2-methanimidoyl-N-(3-methoxypropyl)-5-methylaniline.

Molecular Properties

Compound Nameethane;2-methanimidoyl-N-(3-methoxypropyl)-5-methylaniline
PubChem CID143562507
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Nameethane;2-methanimidoyl-N-(3-methoxypropyl)-5-methylaniline
SMILESCC.[H]/N=C/c1ccc(C)cc1NCCCOC
InChIInChI=1S/C12H18N2O.C2H6/c1-10-4-5-11(9-13)12(8-10)14-6-3-7-15-2;1-2/h4-5,8-9,13-14H,3,6-7H2,1-2H3;1-2H3/b13-9+;
InChIKeyFNODKXNLWZBHPL-KJEVSKRMSA-N
XLogP3.47
TPSA45.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 53.47
H-Bond Donors ≤ 52
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-ethoxy-N-(3-methoxypropyl)-5-methylaniline
CID 83961689
4-(2-methanimidoyl-4-methylanilino)butanenitrile
CID 144928821
2-methoxy-N-[3-(2-methoxyethoxy)propyl]-5-methylaniline
CID 103409333
2-(butylamino)-4-methylbenzaldehyde
CID 154316528
N-(2-methoxyethyl)-2-[2-(4-methoxyphenyl)ethenyl]-5-methylaniline
CID 67935328
2-(4-methoxybutylamino)-4-methylbenzoic acid
CID 62710496
2-methanimidoyl-4-methylbenzaldehyde
CID 22447756
2-bromo-N-(2-methoxyethyl)-5-methylaniline
CID 82757107
N-(2-methanimidoyl-5-methylphenyl)ethanimine
CID 118350033
N-hexyl-2-(2-methoxyethoxy)-4-methylaniline
CID 54865095
N-[3-(4-methoxyphenoxy)propyl]-2,5-dimethylaniline
CID 82095922
2-bromo-N-(3-ethoxypropyl)-5-methylaniline
CID 82757543

Frequently Asked Questions

What is the IUPAC name of ethane;2-methanimidoyl-N-(3-methoxypropyl)-5-methylaniline?
The IUPAC name of ethane;2-methanimidoyl-N-(3-methoxypropyl)-5-methylaniline (CID 143562507) is ethane;2-methanimidoyl-N-(3-methoxypropyl)-5-methylaniline.
What is the SMILES notation for ethane;2-methanimidoyl-N-(3-methoxypropyl)-5-methylaniline?
The canonical SMILES for ethane;2-methanimidoyl-N-(3-methoxypropyl)-5-methylaniline is CC.[H]/N=C/c1ccc(C)cc1NCCCOC.
What is the InChIKey of ethane;2-methanimidoyl-N-(3-methoxypropyl)-5-methylaniline?
The InChIKey is FNODKXNLWZBHPL-KJEVSKRMSA-N. The full InChI is InChI=1S/C12H18N2O.C2H6/c1-10-4-5-11(9-13)12(8-10)14-6-3-7-15-2;1-2/h4-5,8-9,13-14H,3,6-7H2,1-2H3;1-2H3/b13-9+;.
What are the key properties of ethane;2-methanimidoyl-N-(3-methoxypropyl)-5-methylaniline?
ethane;2-methanimidoyl-N-(3-methoxypropyl)-5-methylaniline has a molecular weight of 236.36 g/mol, XLogP of 3.47, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methanimidoyl-N-(3-methoxypropyl)-5-methylaniline is sourced from PubChem (CID 143562507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).