2-methoxypropane-1,3-diamine;2-methoxy-N,N,N',N'-tetramethylpropane-1,3-diamine

C12H32N4O2 — CID 159359399

IUPAC2-methoxypropane-1,3-diamine;2-methoxy-N,N,N',N'-tetramethylpropane-1,3-diamine
SMILESCOC(CN(C)C)CN(C)C.COC(CN)CN
InChIInChI=1S/C8H20N2O.C4H12N2O/c1-9(2)6-8(11-5)7-10(3)4;1-7-4(2-5)3-6/h8H,6-7H2,1-5H3;4H,2-3,5-6H2,1H3
InChIKeyLIIMTYBMBLBPII-UHFFFAOYSA-N
MW264.41 g/mol
LogP-0.96
Rot. Bonds8

About 2-methoxypropane-1,3-diamine;2-methoxy-N,N,N',N'-tetramethylpropane-1,3-diamine

2-methoxypropane-1,3-diamine;2-methoxy-N,N,N',N'-tetramethylpropane-1,3-diamine (PubChem CID 159359399) has the molecular formula C12H32N4O2 and a molecular weight of 264.41 g/mol. Its IUPAC name is 2-methoxypropane-1,3-diamine;2-methoxy-N,N,N',N'-tetramethylpropane-1,3-diamine.

Molecular Properties

Compound Name2-methoxypropane-1,3-diamine;2-methoxy-N,N,N',N'-tetramethylpropane-1,3-diamine
PubChem CID159359399
Molecular FormulaC12H32N4O2
Molecular Weight264.41 g/mol
Exact Mass264.25
IUPAC Name2-methoxypropane-1,3-diamine;2-methoxy-N,N,N',N'-tetramethylpropane-1,3-diamine
SMILESCOC(CN(C)C)CN(C)C.COC(CN)CN
InChIInChI=1S/C8H20N2O.C4H12N2O/c1-9(2)6-8(11-5)7-10(3)4;1-7-4(2-5)3-6/h8H,6-7H2,1-5H3;4H,2-3,5-6H2,1H3
InChIKeyLIIMTYBMBLBPII-UHFFFAOYSA-N
XLogP-0.96
TPSA76.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 5-0.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methoxypropane-1,3-diamine;2-methoxy-N,N,N',N'-tetramethylpropane-1,3-diamine?
The IUPAC name of 2-methoxypropane-1,3-diamine;2-methoxy-N,N,N',N'-tetramethylpropane-1,3-diamine (CID 159359399) is 2-methoxypropane-1,3-diamine;2-methoxy-N,N,N',N'-tetramethylpropane-1,3-diamine.
What is the SMILES notation for 2-methoxypropane-1,3-diamine;2-methoxy-N,N,N',N'-tetramethylpropane-1,3-diamine?
The canonical SMILES for 2-methoxypropane-1,3-diamine;2-methoxy-N,N,N',N'-tetramethylpropane-1,3-diamine is COC(CN(C)C)CN(C)C.COC(CN)CN.
What is the InChIKey of 2-methoxypropane-1,3-diamine;2-methoxy-N,N,N',N'-tetramethylpropane-1,3-diamine?
The InChIKey is LIIMTYBMBLBPII-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2O.C4H12N2O/c1-9(2)6-8(11-5)7-10(3)4;1-7-4(2-5)3-6/h8H,6-7H2,1-5H3;4H,2-3,5-6H2,1H3.
What are the key properties of 2-methoxypropane-1,3-diamine;2-methoxy-N,N,N',N'-tetramethylpropane-1,3-diamine?
2-methoxypropane-1,3-diamine;2-methoxy-N,N,N',N'-tetramethylpropane-1,3-diamine has a molecular weight of 264.41 g/mol, XLogP of -0.96, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxypropane-1,3-diamine;2-methoxy-N,N,N',N'-tetramethylpropane-1,3-diamine is sourced from PubChem (CID 159359399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).