1-(2-imino-3-methylpentoxy)-3-methylpentan-2-imine

C12H24N2O — CID 23165395

IUPAC1-(2-imino-3-methylpentoxy)-3-methylpentan-2-imine
SMILES[H]/N=C(\COC/C(=N/[H])C(C)CC)C(C)CC
InChIInChI=1S/C12H24N2O/c1-5-9(3)11(13)7-15-8-12(14)10(4)6-2/h9-10,13-14H,5-8H2,1-4H3/b13-11-,14-12+
InChIKeyMPRGYQMHQXHYDR-HEEUSZRZSA-N
MW212.34 g/mol
LogP3.13
Rot. Bonds8

About 1-(2-imino-3-methylpentoxy)-3-methylpentan-2-imine

1-(2-imino-3-methylpentoxy)-3-methylpentan-2-imine (PubChem CID 23165395) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 1-(2-imino-3-methylpentoxy)-3-methylpentan-2-imine.

Molecular Properties

Compound Name1-(2-imino-3-methylpentoxy)-3-methylpentan-2-imine
PubChem CID23165395
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name1-(2-imino-3-methylpentoxy)-3-methylpentan-2-imine
SMILES[H]/N=C(\COC/C(=N/[H])C(C)CC)C(C)CC
InChIInChI=1S/C12H24N2O/c1-5-9(3)11(13)7-15-8-12(14)10(4)6-2/h9-10,13-14H,5-8H2,1-4H3/b13-11-,14-12+
InChIKeyMPRGYQMHQXHYDR-HEEUSZRZSA-N
XLogP3.13
TPSA56.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
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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Frequently Asked Questions

What is the IUPAC name of 1-(2-imino-3-methylpentoxy)-3-methylpentan-2-imine?
The IUPAC name of 1-(2-imino-3-methylpentoxy)-3-methylpentan-2-imine (CID 23165395) is 1-(2-imino-3-methylpentoxy)-3-methylpentan-2-imine.
What is the SMILES notation for 1-(2-imino-3-methylpentoxy)-3-methylpentan-2-imine?
The canonical SMILES for 1-(2-imino-3-methylpentoxy)-3-methylpentan-2-imine is [H]/N=C(\COC/C(=N/[H])C(C)CC)C(C)CC.
What is the InChIKey of 1-(2-imino-3-methylpentoxy)-3-methylpentan-2-imine?
The InChIKey is MPRGYQMHQXHYDR-HEEUSZRZSA-N. The full InChI is InChI=1S/C12H24N2O/c1-5-9(3)11(13)7-15-8-12(14)10(4)6-2/h9-10,13-14H,5-8H2,1-4H3/b13-11-,14-12+.
What are the key properties of 1-(2-imino-3-methylpentoxy)-3-methylpentan-2-imine?
1-(2-imino-3-methylpentoxy)-3-methylpentan-2-imine has a molecular weight of 212.34 g/mol, XLogP of 3.13, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-imino-3-methylpentoxy)-3-methylpentan-2-imine is sourced from PubChem (CID 23165395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).