2-N-butan-2-yl-3-methoxy-2-N-(2-methoxyethyl)-2-methylpropane-1,2-diamine

C12H28N2O2 — CID 62536455

IUPAC2-N-butan-2-yl-3-methoxy-2-N-(2-methoxyethyl)-2-methylpropane-1,2-diamine
SMILESCCC(C)N(CCOC)C(C)(CN)COC
InChIInChI=1S/C12H28N2O2/c1-6-11(2)14(7-8-15-4)12(3,9-13)10-16-5/h11H,6-10,13H2,1-5H3
InChIKeyVERGWQKDLPDCNE-UHFFFAOYSA-N
MW232.37 g/mol
LogP1.10
Rot. Bonds9

About 2-N-butan-2-yl-3-methoxy-2-N-(2-methoxyethyl)-2-methylpropane-1,2-diamine

2-N-butan-2-yl-3-methoxy-2-N-(2-methoxyethyl)-2-methylpropane-1,2-diamine (PubChem CID 62536455) has the molecular formula C12H28N2O2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 2-N-butan-2-yl-3-methoxy-2-N-(2-methoxyethyl)-2-methylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-butan-2-yl-3-methoxy-2-N-(2-methoxyethyl)-2-methylpropane-1,2-diamine
PubChem CID62536455
Molecular FormulaC12H28N2O2
Molecular Weight232.37 g/mol
Exact Mass232.22
IUPAC Name2-N-butan-2-yl-3-methoxy-2-N-(2-methoxyethyl)-2-methylpropane-1,2-diamine
SMILESCCC(C)N(CCOC)C(C)(CN)COC
InChIInChI=1S/C12H28N2O2/c1-6-11(2)14(7-8-15-4)12(3,9-13)10-16-5/h11H,6-10,13H2,1-5H3
InChIKeyVERGWQKDLPDCNE-UHFFFAOYSA-N
XLogP1.10
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-N-butan-2-yl-3-methoxy-2-N-(2-methoxyethyl)-2-methylpropane-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 2-N-butan-2-yl-3-methoxy-2-N-(2-methoxyethyl)-2-methylpropane-1,2-diamine?
The IUPAC name of 2-N-butan-2-yl-3-methoxy-2-N-(2-methoxyethyl)-2-methylpropane-1,2-diamine (CID 62536455) is 2-N-butan-2-yl-3-methoxy-2-N-(2-methoxyethyl)-2-methylpropane-1,2-diamine.
What is the SMILES notation for 2-N-butan-2-yl-3-methoxy-2-N-(2-methoxyethyl)-2-methylpropane-1,2-diamine?
The canonical SMILES for 2-N-butan-2-yl-3-methoxy-2-N-(2-methoxyethyl)-2-methylpropane-1,2-diamine is CCC(C)N(CCOC)C(C)(CN)COC.
What is the InChIKey of 2-N-butan-2-yl-3-methoxy-2-N-(2-methoxyethyl)-2-methylpropane-1,2-diamine?
The InChIKey is VERGWQKDLPDCNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O2/c1-6-11(2)14(7-8-15-4)12(3,9-13)10-16-5/h11H,6-10,13H2,1-5H3.
What are the key properties of 2-N-butan-2-yl-3-methoxy-2-N-(2-methoxyethyl)-2-methylpropane-1,2-diamine?
2-N-butan-2-yl-3-methoxy-2-N-(2-methoxyethyl)-2-methylpropane-1,2-diamine has a molecular weight of 232.37 g/mol, XLogP of 1.10, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-butan-2-yl-3-methoxy-2-N-(2-methoxyethyl)-2-methylpropane-1,2-diamine is sourced from PubChem (CID 62536455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).