2-[1-(2-methoxyphenyl)ethyl]heptane-1,4-diimine

C16H24N2O — CID 174484222

IUPAC2-[1-(2-methoxyphenyl)ethyl]heptane-1,4-diimine
SMILES[H]/N=C/C(C/C(CCC)=N/[H])C(C)c1ccccc1OC
InChIInChI=1S/C16H24N2O/c1-4-7-14(18)10-13(11-17)12(2)15-8-5-6-9-16(15)19-3/h5-6,8-9,11-13,17-18H,4,7,10H2,1-3H3/b17-11+,18-14+
InChIKeySSKSFLAUXFNPLP-CBXDKUCNSA-N
MW260.38 g/mol
LogP4.27
Rot. Bonds8

About 2-[1-(2-methoxyphenyl)ethyl]heptane-1,4-diimine

2-[1-(2-methoxyphenyl)ethyl]heptane-1,4-diimine (PubChem CID 174484222) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 2-[1-(2-methoxyphenyl)ethyl]heptane-1,4-diimine.

Molecular Properties

Compound Name2-[1-(2-methoxyphenyl)ethyl]heptane-1,4-diimine
PubChem CID174484222
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name2-[1-(2-methoxyphenyl)ethyl]heptane-1,4-diimine
SMILES[H]/N=C/C(C/C(CCC)=N/[H])C(C)c1ccccc1OC
InChIInChI=1S/C16H24N2O/c1-4-7-14(18)10-13(11-17)12(2)15-8-5-6-9-16(15)19-3/h5-6,8-9,11-13,17-18H,4,7,10H2,1-3H3/b17-11+,18-14+
InChIKeySSKSFLAUXFNPLP-CBXDKUCNSA-N
XLogP4.27
TPSA56.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[1-(4-chlorophenyl)ethyl]heptane-1,4-diimine
CID 174471070
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CID 174484242
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3-(2-methoxyphenyl)-N-propylbutan-2-amine
CID 66437216
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CID 142030907
3-(2-methoxyphenyl)sulfanylbutanimidamide
CID 61291684
1-(3-bromobutan-2-yl)-2-methoxybenzene
CID 66469864
1-(3-chlorobutan-2-yl)-2-methoxybenzene
CID 66470656
methyl 3-(2-propan-2-ylphenoxy)propanimidate
CID 95444501
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CID 129388209
N-ethyl-2-(2-methoxyphenyl)hexan-3-amine
CID 83050697

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methoxyphenyl)ethyl]heptane-1,4-diimine?
The IUPAC name of 2-[1-(2-methoxyphenyl)ethyl]heptane-1,4-diimine (CID 174484222) is 2-[1-(2-methoxyphenyl)ethyl]heptane-1,4-diimine.
What is the SMILES notation for 2-[1-(2-methoxyphenyl)ethyl]heptane-1,4-diimine?
The canonical SMILES for 2-[1-(2-methoxyphenyl)ethyl]heptane-1,4-diimine is [H]/N=C/C(C/C(CCC)=N/[H])C(C)c1ccccc1OC.
What is the InChIKey of 2-[1-(2-methoxyphenyl)ethyl]heptane-1,4-diimine?
The InChIKey is SSKSFLAUXFNPLP-CBXDKUCNSA-N. The full InChI is InChI=1S/C16H24N2O/c1-4-7-14(18)10-13(11-17)12(2)15-8-5-6-9-16(15)19-3/h5-6,8-9,11-13,17-18H,4,7,10H2,1-3H3/b17-11+,18-14+.
What are the key properties of 2-[1-(2-methoxyphenyl)ethyl]heptane-1,4-diimine?
2-[1-(2-methoxyphenyl)ethyl]heptane-1,4-diimine has a molecular weight of 260.38 g/mol, XLogP of 4.27, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methoxyphenyl)ethyl]heptane-1,4-diimine is sourced from PubChem (CID 174484222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).