2-(3-imino-2,4-dimethylpentan-2-yl)oxy-2,4-dimethylpentan-3-imine

C14H28N2O — CID 150027975

IUPAC2-(3-imino-2,4-dimethylpentan-2-yl)oxy-2,4-dimethylpentan-3-imine
SMILES[H]/N=C(\C(C)C)C(C)(C)OC(C)(C)/C(=N/[H])C(C)C
InChIInChI=1S/C14H28N2O/c1-9(2)11(15)13(5,6)17-14(7,8)12(16)10(3)4/h9-10,15-16H,1-8H3/b15-11+,16-12+
InChIKeyDGQKWEVOQOBEFG-JOBJLJCHSA-N
MW240.39 g/mol
LogP3.91
Rot. Bonds6

About 2-(3-imino-2,4-dimethylpentan-2-yl)oxy-2,4-dimethylpentan-3-imine

2-(3-imino-2,4-dimethylpentan-2-yl)oxy-2,4-dimethylpentan-3-imine (PubChem CID 150027975) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 2-(3-imino-2,4-dimethylpentan-2-yl)oxy-2,4-dimethylpentan-3-imine.

Molecular Properties

Compound Name2-(3-imino-2,4-dimethylpentan-2-yl)oxy-2,4-dimethylpentan-3-imine
PubChem CID150027975
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name2-(3-imino-2,4-dimethylpentan-2-yl)oxy-2,4-dimethylpentan-3-imine
SMILES[H]/N=C(\C(C)C)C(C)(C)OC(C)(C)/C(=N/[H])C(C)C
InChIInChI=1S/C14H28N2O/c1-9(2)11(15)13(5,6)17-14(7,8)12(16)10(3)4/h9-10,15-16H,1-8H3/b15-11+,16-12+
InChIKeyDGQKWEVOQOBEFG-JOBJLJCHSA-N
XLogP3.91
TPSA56.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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'}

Analyze 2-(3-imino-2,4-dimethylpentan-2-yl)oxy-2,4-dimethylpentan-3-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-Imino-5-methylhexan-3-yl)oxy-5-methylhexan-2-imine
CID 139815351
2-(3-Imino-4-methylpentan-2-yl)oxy-4-methylpentan-3-imine
CID 150189405
4-(4-Imino-5-methylhexan-3-yl)oxy-2-methylhexan-3-imine
CID 152563646

Frequently Asked Questions

What is the IUPAC name of 2-(3-imino-2,4-dimethylpentan-2-yl)oxy-2,4-dimethylpentan-3-imine?
The IUPAC name of 2-(3-imino-2,4-dimethylpentan-2-yl)oxy-2,4-dimethylpentan-3-imine (CID 150027975) is 2-(3-imino-2,4-dimethylpentan-2-yl)oxy-2,4-dimethylpentan-3-imine.
What is the SMILES notation for 2-(3-imino-2,4-dimethylpentan-2-yl)oxy-2,4-dimethylpentan-3-imine?
The canonical SMILES for 2-(3-imino-2,4-dimethylpentan-2-yl)oxy-2,4-dimethylpentan-3-imine is [H]/N=C(\C(C)C)C(C)(C)OC(C)(C)/C(=N/[H])C(C)C.
What is the InChIKey of 2-(3-imino-2,4-dimethylpentan-2-yl)oxy-2,4-dimethylpentan-3-imine?
The InChIKey is DGQKWEVOQOBEFG-JOBJLJCHSA-N. The full InChI is InChI=1S/C14H28N2O/c1-9(2)11(15)13(5,6)17-14(7,8)12(16)10(3)4/h9-10,15-16H,1-8H3/b15-11+,16-12+.
What are the key properties of 2-(3-imino-2,4-dimethylpentan-2-yl)oxy-2,4-dimethylpentan-3-imine?
2-(3-imino-2,4-dimethylpentan-2-yl)oxy-2,4-dimethylpentan-3-imine has a molecular weight of 240.39 g/mol, XLogP of 3.91, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-imino-2,4-dimethylpentan-2-yl)oxy-2,4-dimethylpentan-3-imine is sourced from PubChem (CID 150027975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).