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

C9H22N2O2 — CID 7138381

IUPACN',N'-bis(2-methoxyethyl)propane-1,3-diamine
SMILESCOCCN(CCCN)CCOC
InChIInChI=1S/C9H22N2O2/c1-12-8-6-11(5-3-4-10)7-9-13-2/h3-10H2,1-2H3
InChIKeyIIDKMDPKQBPCNM-UHFFFAOYSA-N
MW190.29 g/mol
LogP-0.07
Rot. Bonds9

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

N',N'-bis(2-methoxyethyl)propane-1,3-diamine (PubChem CID 7138381) has the molecular formula C9H22N2O2 and a molecular weight of 190.29 g/mol. Its IUPAC name is N',N'-bis(2-methoxyethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN',N'-bis(2-methoxyethyl)propane-1,3-diamine
PubChem CID7138381
Molecular FormulaC9H22N2O2
Molecular Weight190.29 g/mol
Exact Mass190.17
IUPAC NameN',N'-bis(2-methoxyethyl)propane-1,3-diamine
SMILESCOCCN(CCCN)CCOC
InChIInChI=1S/C9H22N2O2/c1-12-8-6-11(5-3-4-10)7-9-13-2/h3-10H2,1-2H3
InChIKeyIIDKMDPKQBPCNM-UHFFFAOYSA-N
XLogP-0.07
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N',N'-bis(2-methoxyethyl)propane-1,3-diamine?
The IUPAC name of N',N'-bis(2-methoxyethyl)propane-1,3-diamine (CID 7138381) is N',N'-bis(2-methoxyethyl)propane-1,3-diamine.
What is the SMILES notation for N',N'-bis(2-methoxyethyl)propane-1,3-diamine?
The canonical SMILES for N',N'-bis(2-methoxyethyl)propane-1,3-diamine is COCCN(CCCN)CCOC.
What is the InChIKey of N',N'-bis(2-methoxyethyl)propane-1,3-diamine?
The InChIKey is IIDKMDPKQBPCNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2O2/c1-12-8-6-11(5-3-4-10)7-9-13-2/h3-10H2,1-2H3.
What are the key properties of N',N'-bis(2-methoxyethyl)propane-1,3-diamine?
N',N'-bis(2-methoxyethyl)propane-1,3-diamine has a molecular weight of 190.29 g/mol, XLogP of -0.07, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-bis(2-methoxyethyl)propane-1,3-diamine is sourced from PubChem (CID 7138381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).