4,4-dimethoxy-2-N,2-dimethyl-2-N-pentan-2-ylbutane-1,2-diamine

C13H30N2O2 — CID 66178833

IUPAC4,4-dimethoxy-2-N,2-dimethyl-2-N-pentan-2-ylbutane-1,2-diamine
SMILESCCCC(C)N(C)C(C)(CN)CC(OC)OC
InChIInChI=1S/C13H30N2O2/c1-7-8-11(2)15(4)13(3,10-14)9-12(16-5)17-6/h11-12H,7-10,14H2,1-6H3
InChIKeyZMNFUPWZBBOXTK-UHFFFAOYSA-N
MW246.39 g/mol
LogP1.83
Rot. Bonds9

About 4,4-dimethoxy-2-N,2-dimethyl-2-N-pentan-2-ylbutane-1,2-diamine

4,4-dimethoxy-2-N,2-dimethyl-2-N-pentan-2-ylbutane-1,2-diamine (PubChem CID 66178833) 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-pentan-2-ylbutane-1,2-diamine.

Molecular Properties

Compound Name4,4-dimethoxy-2-N,2-dimethyl-2-N-pentan-2-ylbutane-1,2-diamine
PubChem CID66178833
Molecular FormulaC13H30N2O2
Molecular Weight246.39 g/mol
Exact Mass246.23
IUPAC Name4,4-dimethoxy-2-N,2-dimethyl-2-N-pentan-2-ylbutane-1,2-diamine
SMILESCCCC(C)N(C)C(C)(CN)CC(OC)OC
InChIInChI=1S/C13H30N2O2/c1-7-8-11(2)15(4)13(3,10-14)9-12(16-5)17-6/h11-12H,7-10,14H2,1-6H3
InChIKeyZMNFUPWZBBOXTK-UHFFFAOYSA-N
XLogP1.83
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
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-pentan-2-ylbutane-1,2-diamine?
The IUPAC name of 4,4-dimethoxy-2-N,2-dimethyl-2-N-pentan-2-ylbutane-1,2-diamine (CID 66178833) is 4,4-dimethoxy-2-N,2-dimethyl-2-N-pentan-2-ylbutane-1,2-diamine.
What is the SMILES notation for 4,4-dimethoxy-2-N,2-dimethyl-2-N-pentan-2-ylbutane-1,2-diamine?
The canonical SMILES for 4,4-dimethoxy-2-N,2-dimethyl-2-N-pentan-2-ylbutane-1,2-diamine is CCCC(C)N(C)C(C)(CN)CC(OC)OC.
What is the InChIKey of 4,4-dimethoxy-2-N,2-dimethyl-2-N-pentan-2-ylbutane-1,2-diamine?
The InChIKey is ZMNFUPWZBBOXTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2O2/c1-7-8-11(2)15(4)13(3,10-14)9-12(16-5)17-6/h11-12H,7-10,14H2,1-6H3.
What are the key properties of 4,4-dimethoxy-2-N,2-dimethyl-2-N-pentan-2-ylbutane-1,2-diamine?
4,4-dimethoxy-2-N,2-dimethyl-2-N-pentan-2-ylbutane-1,2-diamine has a molecular weight of 246.39 g/mol, XLogP of 1.83, 9 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-pentan-2-ylbutane-1,2-diamine is sourced from PubChem (CID 66178833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).