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

C12H24N2O — CID 150189405

IUPAC2-(3-imino-4-methylpentan-2-yl)oxy-4-methylpentan-3-imine
SMILES[H]/N=C(\C(C)C)C(C)OC(C)/C(=N/[H])C(C)C
InChIInChI=1S/C12H24N2O/c1-7(2)11(13)9(5)15-10(6)12(14)8(3)4/h7-10,13-14H,1-6H3/b13-11+,14-12+
InChIKeyFNCSJPKUTWPUMA-PHEQNACWSA-N
MW212.34 g/mol
LogP3.13
Rot. Bonds6

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

2-(3-imino-4-methylpentan-2-yl)oxy-4-methylpentan-3-imine (PubChem CID 150189405) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 2-(3-imino-4-methylpentan-2-yl)oxy-4-methylpentan-3-imine.

Molecular Properties

Compound Name2-(3-imino-4-methylpentan-2-yl)oxy-4-methylpentan-3-imine
PubChem CID150189405
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name2-(3-imino-4-methylpentan-2-yl)oxy-4-methylpentan-3-imine
SMILES[H]/N=C(\C(C)C)C(C)OC(C)/C(=N/[H])C(C)C
InChIInChI=1S/C12H24N2O/c1-7(2)11(13)9(5)15-10(6)12(14)8(3)4/h7-10,13-14H,1-6H3/b13-11+,14-12+
InChIKeyFNCSJPKUTWPUMA-PHEQNACWSA-N
XLogP3.13
TPSA56.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 53.13
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
3-(Propoxymethyl)pentan-2-imine
CID 123231589
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
4-(4-Imino-5-methylhexan-3-yl)oxy-2-methylhexan-3-imine
CID 152563646
3-Methyl-1-propan-2-yloxybutan-2-imine
CID 163581140
2-Propan-2-yloxetan-3-imine
CID 163879147
2-Methyl-1-propoxypentan-3-imine
CID 167092066

Frequently Asked Questions

What is the IUPAC name of 2-(3-imino-4-methylpentan-2-yl)oxy-4-methylpentan-3-imine?
The IUPAC name of 2-(3-imino-4-methylpentan-2-yl)oxy-4-methylpentan-3-imine (CID 150189405) is 2-(3-imino-4-methylpentan-2-yl)oxy-4-methylpentan-3-imine.
What is the SMILES notation for 2-(3-imino-4-methylpentan-2-yl)oxy-4-methylpentan-3-imine?
The canonical SMILES for 2-(3-imino-4-methylpentan-2-yl)oxy-4-methylpentan-3-imine is [H]/N=C(\C(C)C)C(C)OC(C)/C(=N/[H])C(C)C.
What is the InChIKey of 2-(3-imino-4-methylpentan-2-yl)oxy-4-methylpentan-3-imine?
The InChIKey is FNCSJPKUTWPUMA-PHEQNACWSA-N. The full InChI is InChI=1S/C12H24N2O/c1-7(2)11(13)9(5)15-10(6)12(14)8(3)4/h7-10,13-14H,1-6H3/b13-11+,14-12+.
What are the key properties of 2-(3-imino-4-methylpentan-2-yl)oxy-4-methylpentan-3-imine?
2-(3-imino-4-methylpentan-2-yl)oxy-4-methylpentan-3-imine has a molecular weight of 212.34 g/mol, XLogP of 3.13, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-imino-4-methylpentan-2-yl)oxy-4-methylpentan-3-imine is sourced from PubChem (CID 150189405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).