4,4-dimethoxy-2-N,2-dimethyl-2-N-(2-methylbutan-2-yl)butane-1,2-diamine

C13H30N2O2 — CID 66181011

IUPAC4,4-dimethoxy-2-N,2-dimethyl-2-N-(2-methylbutan-2-yl)butane-1,2-diamine
SMILESCCC(C)(C)N(C)C(C)(CN)CC(OC)OC
InChIInChI=1S/C13H30N2O2/c1-8-12(2,3)15(5)13(4,10-14)9-11(16-6)17-7/h11H,8-10,14H2,1-7H3
InChIKeySVJCRKJBZFXAGJ-UHFFFAOYSA-N
MW246.39 g/mol
LogP1.83
Rot. Bonds8

About 4,4-dimethoxy-2-N,2-dimethyl-2-N-(2-methylbutan-2-yl)butane-1,2-diamine

4,4-dimethoxy-2-N,2-dimethyl-2-N-(2-methylbutan-2-yl)butane-1,2-diamine (PubChem CID 66181011) has the molecular formula C13H30N2O2 and a molecular weight of 246.39 g/mol. Its IUPAC name is 4,4-dimethoxy-2-N,2-dimethyl-2-N-(2-methylbutan-2-yl)butane-1,2-diamine.

Molecular Properties

Compound Name4,4-dimethoxy-2-N,2-dimethyl-2-N-(2-methylbutan-2-yl)butane-1,2-diamine
PubChem CID66181011
Molecular FormulaC13H30N2O2
Molecular Weight246.39 g/mol
Exact Mass246.23
IUPAC Name4,4-dimethoxy-2-N,2-dimethyl-2-N-(2-methylbutan-2-yl)butane-1,2-diamine
SMILESCCC(C)(C)N(C)C(C)(CN)CC(OC)OC
InChIInChI=1S/C13H30N2O2/c1-8-12(2,3)15(5)13(4,10-14)9-11(16-6)17-7/h11H,8-10,14H2,1-7H3
InChIKeySVJCRKJBZFXAGJ-UHFFFAOYSA-N
XLogP1.83
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.39
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethoxy-2-N,2-dimethyl-2-N-(2-methylbutan-2-yl)butane-1,2-diamine?
The IUPAC name of 4,4-dimethoxy-2-N,2-dimethyl-2-N-(2-methylbutan-2-yl)butane-1,2-diamine (CID 66181011) is 4,4-dimethoxy-2-N,2-dimethyl-2-N-(2-methylbutan-2-yl)butane-1,2-diamine.
What is the SMILES notation for 4,4-dimethoxy-2-N,2-dimethyl-2-N-(2-methylbutan-2-yl)butane-1,2-diamine?
The canonical SMILES for 4,4-dimethoxy-2-N,2-dimethyl-2-N-(2-methylbutan-2-yl)butane-1,2-diamine is CCC(C)(C)N(C)C(C)(CN)CC(OC)OC.
What is the InChIKey of 4,4-dimethoxy-2-N,2-dimethyl-2-N-(2-methylbutan-2-yl)butane-1,2-diamine?
The InChIKey is SVJCRKJBZFXAGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2O2/c1-8-12(2,3)15(5)13(4,10-14)9-11(16-6)17-7/h11H,8-10,14H2,1-7H3.
What are the key properties of 4,4-dimethoxy-2-N,2-dimethyl-2-N-(2-methylbutan-2-yl)butane-1,2-diamine?
4,4-dimethoxy-2-N,2-dimethyl-2-N-(2-methylbutan-2-yl)butane-1,2-diamine has a molecular weight of 246.39 g/mol, XLogP of 1.83, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethoxy-2-N,2-dimethyl-2-N-(2-methylbutan-2-yl)butane-1,2-diamine is sourced from PubChem (CID 66181011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).