3-N-(2-methoxyethyl)-3-N-methyl-1-N-propylbutane-1,3-diamine

C11H26N2O — CID 62447850

IUPAC3-N-(2-methoxyethyl)-3-N-methyl-1-N-propylbutane-1,3-diamine
SMILESCCCNCCC(C)N(C)CCOC
InChIInChI=1S/C11H26N2O/c1-5-7-12-8-6-11(2)13(3)9-10-14-4/h11-12H,5-10H2,1-4H3
InChIKeyRAELHZAGKMKRCU-UHFFFAOYSA-N
MW202.34 g/mol
LogP1.34
Rot. Bonds9

About 3-N-(2-methoxyethyl)-3-N-methyl-1-N-propylbutane-1,3-diamine

3-N-(2-methoxyethyl)-3-N-methyl-1-N-propylbutane-1,3-diamine (PubChem CID 62447850) has the molecular formula C11H26N2O and a molecular weight of 202.34 g/mol. Its IUPAC name is 3-N-(2-methoxyethyl)-3-N-methyl-1-N-propylbutane-1,3-diamine.

Molecular Properties

Compound Name3-N-(2-methoxyethyl)-3-N-methyl-1-N-propylbutane-1,3-diamine
PubChem CID62447850
Molecular FormulaC11H26N2O
Molecular Weight202.34 g/mol
Exact Mass202.20
IUPAC Name3-N-(2-methoxyethyl)-3-N-methyl-1-N-propylbutane-1,3-diamine
SMILESCCCNCCC(C)N(C)CCOC
InChIInChI=1S/C11H26N2O/c1-5-7-12-8-6-11(2)13(3)9-10-14-4/h11-12H,5-10H2,1-4H3
InChIKeyRAELHZAGKMKRCU-UHFFFAOYSA-N
XLogP1.34
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-N-(2-methoxyethyl)-3-N-methyl-1-N-propylbutane-1,3-diamine?
The IUPAC name of 3-N-(2-methoxyethyl)-3-N-methyl-1-N-propylbutane-1,3-diamine (CID 62447850) is 3-N-(2-methoxyethyl)-3-N-methyl-1-N-propylbutane-1,3-diamine.
What is the SMILES notation for 3-N-(2-methoxyethyl)-3-N-methyl-1-N-propylbutane-1,3-diamine?
The canonical SMILES for 3-N-(2-methoxyethyl)-3-N-methyl-1-N-propylbutane-1,3-diamine is CCCNCCC(C)N(C)CCOC.
What is the InChIKey of 3-N-(2-methoxyethyl)-3-N-methyl-1-N-propylbutane-1,3-diamine?
The InChIKey is RAELHZAGKMKRCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2O/c1-5-7-12-8-6-11(2)13(3)9-10-14-4/h11-12H,5-10H2,1-4H3.
What are the key properties of 3-N-(2-methoxyethyl)-3-N-methyl-1-N-propylbutane-1,3-diamine?
3-N-(2-methoxyethyl)-3-N-methyl-1-N-propylbutane-1,3-diamine has a molecular weight of 202.34 g/mol, XLogP of 1.34, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2-methoxyethyl)-3-N-methyl-1-N-propylbutane-1,3-diamine is sourced from PubChem (CID 62447850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).