3,3-dimethoxy-2-methyl-2-N-piperidin-1-ylpropane-1,2-diamine

C11H25N3O2 — CID 83011232

IUPAC3,3-dimethoxy-2-methyl-2-N-piperidin-1-ylpropane-1,2-diamine
SMILESCOC(OC)C(C)(CN)NN1CCCCC1
InChIInChI=1S/C11H25N3O2/c1-11(9-12,10(15-2)16-3)13-14-7-5-4-6-8-14/h10,13H,4-9,12H2,1-3H3
InChIKeyCKKCZRBKXHKQSL-UHFFFAOYSA-N
MW231.34 g/mol
LogP0.31
Rot. Bonds6

About 3,3-dimethoxy-2-methyl-2-N-piperidin-1-ylpropane-1,2-diamine

3,3-dimethoxy-2-methyl-2-N-piperidin-1-ylpropane-1,2-diamine (PubChem CID 83011232) has the molecular formula C11H25N3O2 and a molecular weight of 231.34 g/mol. Its IUPAC name is 3,3-dimethoxy-2-methyl-2-N-piperidin-1-ylpropane-1,2-diamine.

Molecular Properties

Compound Name3,3-dimethoxy-2-methyl-2-N-piperidin-1-ylpropane-1,2-diamine
PubChem CID83011232
Molecular FormulaC11H25N3O2
Molecular Weight231.34 g/mol
Exact Mass231.19
IUPAC Name3,3-dimethoxy-2-methyl-2-N-piperidin-1-ylpropane-1,2-diamine
SMILESCOC(OC)C(C)(CN)NN1CCCCC1
InChIInChI=1S/C11H25N3O2/c1-11(9-12,10(15-2)16-3)13-14-7-5-4-6-8-14/h10,13H,4-9,12H2,1-3H3
InChIKeyCKKCZRBKXHKQSL-UHFFFAOYSA-N
XLogP0.31
TPSA59.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 3,3-dimethoxy-2-methyl-2-N-piperidin-1-ylpropane-1,2-diamine?
The IUPAC name of 3,3-dimethoxy-2-methyl-2-N-piperidin-1-ylpropane-1,2-diamine (CID 83011232) is 3,3-dimethoxy-2-methyl-2-N-piperidin-1-ylpropane-1,2-diamine.
What is the SMILES notation for 3,3-dimethoxy-2-methyl-2-N-piperidin-1-ylpropane-1,2-diamine?
The canonical SMILES for 3,3-dimethoxy-2-methyl-2-N-piperidin-1-ylpropane-1,2-diamine is COC(OC)C(C)(CN)NN1CCCCC1.
What is the InChIKey of 3,3-dimethoxy-2-methyl-2-N-piperidin-1-ylpropane-1,2-diamine?
The InChIKey is CKKCZRBKXHKQSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O2/c1-11(9-12,10(15-2)16-3)13-14-7-5-4-6-8-14/h10,13H,4-9,12H2,1-3H3.
What are the key properties of 3,3-dimethoxy-2-methyl-2-N-piperidin-1-ylpropane-1,2-diamine?
3,3-dimethoxy-2-methyl-2-N-piperidin-1-ylpropane-1,2-diamine has a molecular weight of 231.34 g/mol, XLogP of 0.31, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethoxy-2-methyl-2-N-piperidin-1-ylpropane-1,2-diamine is sourced from PubChem (CID 83011232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).