2-N-butan-2-yl-3,3-dimethoxy-2-N,2-dimethylpropane-1,2-diamine

C11H26N2O2 — CID 66179836

IUPAC2-N-butan-2-yl-3,3-dimethoxy-2-N,2-dimethylpropane-1,2-diamine
SMILESCCC(C)N(C)C(C)(CN)C(OC)OC
InChIInChI=1S/C11H26N2O2/c1-7-9(2)13(4)11(3,8-12)10(14-5)15-6/h9-10H,7-8,12H2,1-6H3
InChIKeyHFYNCZIUOPDSQD-UHFFFAOYSA-N
MW218.34 g/mol
LogP1.05
Rot. Bonds7

About 2-N-butan-2-yl-3,3-dimethoxy-2-N,2-dimethylpropane-1,2-diamine

2-N-butan-2-yl-3,3-dimethoxy-2-N,2-dimethylpropane-1,2-diamine (PubChem CID 66179836) has the molecular formula C11H26N2O2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 2-N-butan-2-yl-3,3-dimethoxy-2-N,2-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-butan-2-yl-3,3-dimethoxy-2-N,2-dimethylpropane-1,2-diamine
PubChem CID66179836
Molecular FormulaC11H26N2O2
Molecular Weight218.34 g/mol
Exact Mass218.20
IUPAC Name2-N-butan-2-yl-3,3-dimethoxy-2-N,2-dimethylpropane-1,2-diamine
SMILESCCC(C)N(C)C(C)(CN)C(OC)OC
InChIInChI=1S/C11H26N2O2/c1-7-9(2)13(4)11(3,8-12)10(14-5)15-6/h9-10H,7-8,12H2,1-6H3
InChIKeyHFYNCZIUOPDSQD-UHFFFAOYSA-N
XLogP1.05
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 51.05
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 2-N-butan-2-yl-3,3-dimethoxy-2-N,2-dimethylpropane-1,2-diamine?
The IUPAC name of 2-N-butan-2-yl-3,3-dimethoxy-2-N,2-dimethylpropane-1,2-diamine (CID 66179836) is 2-N-butan-2-yl-3,3-dimethoxy-2-N,2-dimethylpropane-1,2-diamine.
What is the SMILES notation for 2-N-butan-2-yl-3,3-dimethoxy-2-N,2-dimethylpropane-1,2-diamine?
The canonical SMILES for 2-N-butan-2-yl-3,3-dimethoxy-2-N,2-dimethylpropane-1,2-diamine is CCC(C)N(C)C(C)(CN)C(OC)OC.
What is the InChIKey of 2-N-butan-2-yl-3,3-dimethoxy-2-N,2-dimethylpropane-1,2-diamine?
The InChIKey is HFYNCZIUOPDSQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2O2/c1-7-9(2)13(4)11(3,8-12)10(14-5)15-6/h9-10H,7-8,12H2,1-6H3.
What are the key properties of 2-N-butan-2-yl-3,3-dimethoxy-2-N,2-dimethylpropane-1,2-diamine?
2-N-butan-2-yl-3,3-dimethoxy-2-N,2-dimethylpropane-1,2-diamine has a molecular weight of 218.34 g/mol, XLogP of 1.05, 7 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-3,3-dimethoxy-2-N,2-dimethylpropane-1,2-diamine is sourced from PubChem (CID 66179836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).