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

C14H28N2O — CID 150015752

IUPAC2-(3-imino-4-methylhexan-2-yl)oxy-4-methylhexan-3-imine
SMILES[H]/N=C(\C(C)CC)C(C)OC(C)/C(=N/[H])C(C)CC
InChIInChI=1S/C14H28N2O/c1-7-9(3)13(15)11(5)17-12(6)14(16)10(4)8-2/h9-12,15-16H,7-8H2,1-6H3/b15-13+,16-14+
InChIKeyDEFOLOQBRQGSHQ-WXUKJITCSA-N
MW240.39 g/mol
LogP3.91
Rot. Bonds8

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

2-(3-imino-4-methylhexan-2-yl)oxy-4-methylhexan-3-imine (PubChem CID 150015752) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 2-(3-imino-4-methylhexan-2-yl)oxy-4-methylhexan-3-imine.

Molecular Properties

Compound Name2-(3-imino-4-methylhexan-2-yl)oxy-4-methylhexan-3-imine
PubChem CID150015752
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name2-(3-imino-4-methylhexan-2-yl)oxy-4-methylhexan-3-imine
SMILES[H]/N=C(\C(C)CC)C(C)OC(C)/C(=N/[H])C(C)CC
InChIInChI=1S/C14H28N2O/c1-7-9(3)13(15)11(5)17-12(6)14(16)10(4)8-2/h9-12,15-16H,7-8H2,1-6H3/b15-13+,16-14+
InChIKeyDEFOLOQBRQGSHQ-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-methylpentoxy)-3-methylpentan-2-imine
CID 23165395
1-[(2R)-2-ethyl-5-tritiooxolan-3-yl]ethanimine
CID 57722183
1-[(2R,5S)-2-ethyl-5-tritiooxolan-3-yl]ethanimine
CID 89172437
3-(3-Methyloxiran-2-yl)pentan-2-imine
CID 123219338
4-(Methoxymethyl)heptane-2,5-diimine
CID 123351483
2-Methyl-1-(3-methyloxiran-2-yl)propan-1-imine
CID 123629850
5-Methyl-5-(3-methylbutoxy)heptan-2-imine
CID 123919351
(3R)-6-methoxy-3-methylhexan-2-imine
CID 130282879
3-(2-Imino-5-methylhexan-3-yl)oxy-5-methylhexan-2-imine
CID 139815351
3-(1-Ethoxyethyl)heptane-1,6-diimine
CID 139990769
4-Ethyl-4-propan-2-yloxyhexan-3-imine
CID 146215912
4-(3-Imino-2-methylheptan-4-yl)oxy-2-methylheptan-3-imine
CID 149842707

Frequently Asked Questions

What is the IUPAC name of 2-(3-imino-4-methylhexan-2-yl)oxy-4-methylhexan-3-imine?
The IUPAC name of 2-(3-imino-4-methylhexan-2-yl)oxy-4-methylhexan-3-imine (CID 150015752) is 2-(3-imino-4-methylhexan-2-yl)oxy-4-methylhexan-3-imine.
What is the SMILES notation for 2-(3-imino-4-methylhexan-2-yl)oxy-4-methylhexan-3-imine?
The canonical SMILES for 2-(3-imino-4-methylhexan-2-yl)oxy-4-methylhexan-3-imine is [H]/N=C(\C(C)CC)C(C)OC(C)/C(=N/[H])C(C)CC.
What is the InChIKey of 2-(3-imino-4-methylhexan-2-yl)oxy-4-methylhexan-3-imine?
The InChIKey is DEFOLOQBRQGSHQ-WXUKJITCSA-N. The full InChI is InChI=1S/C14H28N2O/c1-7-9(3)13(15)11(5)17-12(6)14(16)10(4)8-2/h9-12,15-16H,7-8H2,1-6H3/b15-13+,16-14+.
What are the key properties of 2-(3-imino-4-methylhexan-2-yl)oxy-4-methylhexan-3-imine?
2-(3-imino-4-methylhexan-2-yl)oxy-4-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 2-(3-imino-4-methylhexan-2-yl)oxy-4-methylhexan-3-imine is sourced from PubChem (CID 150015752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).