4,4-dimethoxy-2-methyl-2-N-propan-2-ylbutane-1,2-diamine

C10H24N2O2 — CID 66180221

IUPAC4,4-dimethoxy-2-methyl-2-N-propan-2-ylbutane-1,2-diamine
SMILESCOC(CC(C)(CN)NC(C)C)OC
InChIInChI=1S/C10H24N2O2/c1-8(2)12-10(3,7-11)6-9(13-4)14-5/h8-9,12H,6-7,11H2,1-5H3
InChIKeyUHDLEDWFECJRNU-UHFFFAOYSA-N
MW204.31 g/mol
LogP0.71
Rot. Bonds7

About 4,4-dimethoxy-2-methyl-2-N-propan-2-ylbutane-1,2-diamine

4,4-dimethoxy-2-methyl-2-N-propan-2-ylbutane-1,2-diamine (PubChem CID 66180221) has the molecular formula C10H24N2O2 and a molecular weight of 204.31 g/mol. Its IUPAC name is 4,4-dimethoxy-2-methyl-2-N-propan-2-ylbutane-1,2-diamine.

Molecular Properties

Compound Name4,4-dimethoxy-2-methyl-2-N-propan-2-ylbutane-1,2-diamine
PubChem CID66180221
Molecular FormulaC10H24N2O2
Molecular Weight204.31 g/mol
Exact Mass204.18
IUPAC Name4,4-dimethoxy-2-methyl-2-N-propan-2-ylbutane-1,2-diamine
SMILESCOC(CC(C)(CN)NC(C)C)OC
InChIInChI=1S/C10H24N2O2/c1-8(2)12-10(3,7-11)6-9(13-4)14-5/h8-9,12H,6-7,11H2,1-5H3
InChIKeyUHDLEDWFECJRNU-UHFFFAOYSA-N
XLogP0.71
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4,4-dimethoxy-2-methyl-2-N-propan-2-ylbutane-1,2-diamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethoxy-2-methyl-2-N-propan-2-ylbutane-1,2-diamine?
The IUPAC name of 4,4-dimethoxy-2-methyl-2-N-propan-2-ylbutane-1,2-diamine (CID 66180221) is 4,4-dimethoxy-2-methyl-2-N-propan-2-ylbutane-1,2-diamine.
What is the SMILES notation for 4,4-dimethoxy-2-methyl-2-N-propan-2-ylbutane-1,2-diamine?
The canonical SMILES for 4,4-dimethoxy-2-methyl-2-N-propan-2-ylbutane-1,2-diamine is COC(CC(C)(CN)NC(C)C)OC.
What is the InChIKey of 4,4-dimethoxy-2-methyl-2-N-propan-2-ylbutane-1,2-diamine?
The InChIKey is UHDLEDWFECJRNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2O2/c1-8(2)12-10(3,7-11)6-9(13-4)14-5/h8-9,12H,6-7,11H2,1-5H3.
What are the key properties of 4,4-dimethoxy-2-methyl-2-N-propan-2-ylbutane-1,2-diamine?
4,4-dimethoxy-2-methyl-2-N-propan-2-ylbutane-1,2-diamine has a molecular weight of 204.31 g/mol, XLogP of 0.71, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethoxy-2-methyl-2-N-propan-2-ylbutane-1,2-diamine is sourced from PubChem (CID 66180221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).