4-(4-imino-5-methylhexan-3-yl)oxy-2-methylhexan-3-imine

C14H28N2O — CID 152563646

IUPAC4-(4-imino-5-methylhexan-3-yl)oxy-2-methylhexan-3-imine
SMILES[H]/N=C(\C(C)C)C(CC)OC(CC)/C(=N/[H])C(C)C
InChIInChI=1S/C14H28N2O/c1-7-11(13(15)9(3)4)17-12(8-2)14(16)10(5)6/h9-12,15-16H,7-8H2,1-6H3/b15-13+,16-14+
InChIKeyYQACSABLJSGPQD-WXUKJITCSA-N
MW240.39 g/mol
LogP3.91
Rot. Bonds8

About 4-(4-imino-5-methylhexan-3-yl)oxy-2-methylhexan-3-imine

4-(4-imino-5-methylhexan-3-yl)oxy-2-methylhexan-3-imine (PubChem CID 152563646) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 4-(4-imino-5-methylhexan-3-yl)oxy-2-methylhexan-3-imine.

Molecular Properties

Compound Name4-(4-imino-5-methylhexan-3-yl)oxy-2-methylhexan-3-imine
PubChem CID152563646
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name4-(4-imino-5-methylhexan-3-yl)oxy-2-methylhexan-3-imine
SMILES[H]/N=C(\C(C)C)C(CC)OC(CC)/C(=N/[H])C(C)C
InChIInChI=1S/C14H28N2O/c1-7-11(13(15)9(3)4)17-12(8-2)14(16)10(5)6/h9-12,15-16H,7-8H2,1-6H3/b15-13+,16-14+
InChIKeyYQACSABLJSGPQD-WXUKJITCSA-N
XLogP3.91
TPSA56.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 53.91
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

1-(2-Imino-3-methylbutoxy)-3-methylbutan-2-imine
CID 23165394
1-(2-Imino-3-methylpentoxy)-3-methylpentan-2-imine
CID 23165395
2-Methyl-1-(3-methyloxiran-2-yl)propan-1-imine
CID 123629850
3-(2-Imino-5-methylhexan-3-yl)oxy-5-methylhexan-2-imine
CID 139815351
4-Ethyl-4-propan-2-yloxyhexan-3-imine
CID 146215912
4-(3-Imino-2-methylheptan-4-yl)oxy-2-methylheptan-3-imine
CID 149842707
2-(3-Imino-4-methylhexan-2-yl)oxy-4-methylhexan-3-imine
CID 150015752
2-(3-Imino-2,4-dimethylpentan-2-yl)oxy-2,4-dimethylpentan-3-imine
CID 150027975
2-(3-Imino-4-methylpentan-2-yl)oxy-4-methylpentan-3-imine
CID 150189405
Methane;5-methylhexan-3-imine;methyl 3-methylbutanimidate
CID 157639320
3-Methyl-1-propan-2-yloxybutan-2-imine
CID 163581140
2-Methyl-1-propoxypentan-3-imine
CID 167092066

Frequently Asked Questions

What is the IUPAC name of 4-(4-imino-5-methylhexan-3-yl)oxy-2-methylhexan-3-imine?
The IUPAC name of 4-(4-imino-5-methylhexan-3-yl)oxy-2-methylhexan-3-imine (CID 152563646) is 4-(4-imino-5-methylhexan-3-yl)oxy-2-methylhexan-3-imine.
What is the SMILES notation for 4-(4-imino-5-methylhexan-3-yl)oxy-2-methylhexan-3-imine?
The canonical SMILES for 4-(4-imino-5-methylhexan-3-yl)oxy-2-methylhexan-3-imine is [H]/N=C(\C(C)C)C(CC)OC(CC)/C(=N/[H])C(C)C.
What is the InChIKey of 4-(4-imino-5-methylhexan-3-yl)oxy-2-methylhexan-3-imine?
The InChIKey is YQACSABLJSGPQD-WXUKJITCSA-N. The full InChI is InChI=1S/C14H28N2O/c1-7-11(13(15)9(3)4)17-12(8-2)14(16)10(5)6/h9-12,15-16H,7-8H2,1-6H3/b15-13+,16-14+.
What are the key properties of 4-(4-imino-5-methylhexan-3-yl)oxy-2-methylhexan-3-imine?
4-(4-imino-5-methylhexan-3-yl)oxy-2-methylhexan-3-imine has a molecular weight of 240.39 g/mol, XLogP of 3.91, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-imino-5-methylhexan-3-yl)oxy-2-methylhexan-3-imine is sourced from PubChem (CID 152563646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).