3-methoxy-2-N,2-dimethyl-2-N-propan-2-ylpropane-1,2-diamine

C9H22N2O — CID 62534913

IUPAC3-methoxy-2-N,2-dimethyl-2-N-propan-2-ylpropane-1,2-diamine
SMILESCOCC(C)(CN)N(C)C(C)C
InChIInChI=1S/C9H22N2O/c1-8(2)11(4)9(3,6-10)7-12-5/h8H,6-7,10H2,1-5H3
InChIKeyYEUUWOQUIMTXSK-UHFFFAOYSA-N
MW174.29 g/mol
LogP0.69
Rot. Bonds5

About 3-methoxy-2-N,2-dimethyl-2-N-propan-2-ylpropane-1,2-diamine

3-methoxy-2-N,2-dimethyl-2-N-propan-2-ylpropane-1,2-diamine (PubChem CID 62534913) has the molecular formula C9H22N2O and a molecular weight of 174.29 g/mol. Its IUPAC name is 3-methoxy-2-N,2-dimethyl-2-N-propan-2-ylpropane-1,2-diamine.

Molecular Properties

Compound Name3-methoxy-2-N,2-dimethyl-2-N-propan-2-ylpropane-1,2-diamine
PubChem CID62534913
Molecular FormulaC9H22N2O
Molecular Weight174.29 g/mol
Exact Mass174.17
IUPAC Name3-methoxy-2-N,2-dimethyl-2-N-propan-2-ylpropane-1,2-diamine
SMILESCOCC(C)(CN)N(C)C(C)C
InChIInChI=1S/C9H22N2O/c1-8(2)11(4)9(3,6-10)7-12-5/h8H,6-7,10H2,1-5H3
InChIKeyYEUUWOQUIMTXSK-UHFFFAOYSA-N
XLogP0.69
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.29
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-N,2-dimethyl-2-N-propan-2-ylpropane-1,2-diamine?
The IUPAC name of 3-methoxy-2-N,2-dimethyl-2-N-propan-2-ylpropane-1,2-diamine (CID 62534913) is 3-methoxy-2-N,2-dimethyl-2-N-propan-2-ylpropane-1,2-diamine.
What is the SMILES notation for 3-methoxy-2-N,2-dimethyl-2-N-propan-2-ylpropane-1,2-diamine?
The canonical SMILES for 3-methoxy-2-N,2-dimethyl-2-N-propan-2-ylpropane-1,2-diamine is COCC(C)(CN)N(C)C(C)C.
What is the InChIKey of 3-methoxy-2-N,2-dimethyl-2-N-propan-2-ylpropane-1,2-diamine?
The InChIKey is YEUUWOQUIMTXSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2O/c1-8(2)11(4)9(3,6-10)7-12-5/h8H,6-7,10H2,1-5H3.
What are the key properties of 3-methoxy-2-N,2-dimethyl-2-N-propan-2-ylpropane-1,2-diamine?
3-methoxy-2-N,2-dimethyl-2-N-propan-2-ylpropane-1,2-diamine has a molecular weight of 174.29 g/mol, XLogP of 0.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-N,2-dimethyl-2-N-propan-2-ylpropane-1,2-diamine is sourced from PubChem (CID 62534913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).