4-methoxy-4-methyl-2-N-(2-methylpropyl)pentane-1,2-diamine

C11H26N2O — CID 106675730

IUPAC4-methoxy-4-methyl-2-N-(2-methylpropyl)pentane-1,2-diamine
SMILESCOC(C)(C)CC(CN)NCC(C)C
InChIInChI=1S/C11H26N2O/c1-9(2)8-13-10(7-12)6-11(3,4)14-5/h9-10,13H,6-8,12H2,1-5H3
InChIKeySDHMQUUSLSCMCK-UHFFFAOYSA-N
MW202.34 g/mol
LogP1.37
Rot. Bonds7

About 4-methoxy-4-methyl-2-N-(2-methylpropyl)pentane-1,2-diamine

4-methoxy-4-methyl-2-N-(2-methylpropyl)pentane-1,2-diamine (PubChem CID 106675730) has the molecular formula C11H26N2O and a molecular weight of 202.34 g/mol. Its IUPAC name is 4-methoxy-4-methyl-2-N-(2-methylpropyl)pentane-1,2-diamine.

Molecular Properties

Compound Name4-methoxy-4-methyl-2-N-(2-methylpropyl)pentane-1,2-diamine
PubChem CID106675730
Molecular FormulaC11H26N2O
Molecular Weight202.34 g/mol
Exact Mass202.20
IUPAC Name4-methoxy-4-methyl-2-N-(2-methylpropyl)pentane-1,2-diamine
SMILESCOC(C)(C)CC(CN)NCC(C)C
InChIInChI=1S/C11H26N2O/c1-9(2)8-13-10(7-12)6-11(3,4)14-5/h9-10,13H,6-8,12H2,1-5H3
InChIKeySDHMQUUSLSCMCK-UHFFFAOYSA-N
XLogP1.37
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-4-methyl-2-N-(2-methylpropyl)pentane-1,2-diamine?
The IUPAC name of 4-methoxy-4-methyl-2-N-(2-methylpropyl)pentane-1,2-diamine (CID 106675730) is 4-methoxy-4-methyl-2-N-(2-methylpropyl)pentane-1,2-diamine.
What is the SMILES notation for 4-methoxy-4-methyl-2-N-(2-methylpropyl)pentane-1,2-diamine?
The canonical SMILES for 4-methoxy-4-methyl-2-N-(2-methylpropyl)pentane-1,2-diamine is COC(C)(C)CC(CN)NCC(C)C.
What is the InChIKey of 4-methoxy-4-methyl-2-N-(2-methylpropyl)pentane-1,2-diamine?
The InChIKey is SDHMQUUSLSCMCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2O/c1-9(2)8-13-10(7-12)6-11(3,4)14-5/h9-10,13H,6-8,12H2,1-5H3.
What are the key properties of 4-methoxy-4-methyl-2-N-(2-methylpropyl)pentane-1,2-diamine?
4-methoxy-4-methyl-2-N-(2-methylpropyl)pentane-1,2-diamine has a molecular weight of 202.34 g/mol, XLogP of 1.37, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-4-methyl-2-N-(2-methylpropyl)pentane-1,2-diamine is sourced from PubChem (CID 106675730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).