2,2-bis(1-methoxyethyl)propane-1,3-diamine

C9H22N2O2 — CID 19963437

IUPAC2,2-bis(1-methoxyethyl)propane-1,3-diamine
SMILESCOC(C)C(CN)(CN)C(C)OC
InChIInChI=1S/C9H22N2O2/c1-7(12-3)9(5-10,6-11)8(2)13-4/h7-8H,5-6,10-11H2,1-4H3
InChIKeyMSEZGGNXIKGWAQ-UHFFFAOYSA-N
MW190.29 g/mol
LogP-0.04
Rot. Bonds6

About 2,2-bis(1-methoxyethyl)propane-1,3-diamine

2,2-bis(1-methoxyethyl)propane-1,3-diamine (PubChem CID 19963437) has the molecular formula C9H22N2O2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 2,2-bis(1-methoxyethyl)propane-1,3-diamine.

Molecular Properties

Compound Name2,2-bis(1-methoxyethyl)propane-1,3-diamine
PubChem CID19963437
Molecular FormulaC9H22N2O2
Molecular Weight190.29 g/mol
Exact Mass190.17
IUPAC Name2,2-bis(1-methoxyethyl)propane-1,3-diamine
SMILESCOC(C)C(CN)(CN)C(C)OC
InChIInChI=1S/C9H22N2O2/c1-7(12-3)9(5-10,6-11)8(2)13-4/h7-8H,5-6,10-11H2,1-4H3
InChIKeyMSEZGGNXIKGWAQ-UHFFFAOYSA-N
XLogP-0.04
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-bis(1-methoxyethyl)propane-1,3-diamine?
The IUPAC name of 2,2-bis(1-methoxyethyl)propane-1,3-diamine (CID 19963437) is 2,2-bis(1-methoxyethyl)propane-1,3-diamine.
What is the SMILES notation for 2,2-bis(1-methoxyethyl)propane-1,3-diamine?
The canonical SMILES for 2,2-bis(1-methoxyethyl)propane-1,3-diamine is COC(C)C(CN)(CN)C(C)OC.
What is the InChIKey of 2,2-bis(1-methoxyethyl)propane-1,3-diamine?
The InChIKey is MSEZGGNXIKGWAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2O2/c1-7(12-3)9(5-10,6-11)8(2)13-4/h7-8H,5-6,10-11H2,1-4H3.
What are the key properties of 2,2-bis(1-methoxyethyl)propane-1,3-diamine?
2,2-bis(1-methoxyethyl)propane-1,3-diamine has a molecular weight of 190.29 g/mol, XLogP of -0.04, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(1-methoxyethyl)propane-1,3-diamine is sourced from PubChem (CID 19963437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).