N'-(2-methoxyethyl)-N'-methyl-N-(3-methylbutan-2-yl)propane-1,3-diamine

C12H28N2O — CID 115709397

IUPACN'-(2-methoxyethyl)-N'-methyl-N-(3-methylbutan-2-yl)propane-1,3-diamine
SMILESCOCCN(C)CCCNC(C)C(C)C
InChIInChI=1S/C12H28N2O/c1-11(2)12(3)13-7-6-8-14(4)9-10-15-5/h11-13H,6-10H2,1-5H3
InChIKeyBGSYTZWKNXCWIP-UHFFFAOYSA-N
MW216.37 g/mol
LogP1.59
Rot. Bonds9

About N'-(2-methoxyethyl)-N'-methyl-N-(3-methylbutan-2-yl)propane-1,3-diamine

N'-(2-methoxyethyl)-N'-methyl-N-(3-methylbutan-2-yl)propane-1,3-diamine (PubChem CID 115709397) has the molecular formula C12H28N2O and a molecular weight of 216.37 g/mol. Its IUPAC name is N'-(2-methoxyethyl)-N'-methyl-N-(3-methylbutan-2-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-(2-methoxyethyl)-N'-methyl-N-(3-methylbutan-2-yl)propane-1,3-diamine
PubChem CID115709397
Molecular FormulaC12H28N2O
Molecular Weight216.37 g/mol
Exact Mass216.22
IUPAC NameN'-(2-methoxyethyl)-N'-methyl-N-(3-methylbutan-2-yl)propane-1,3-diamine
SMILESCOCCN(C)CCCNC(C)C(C)C
InChIInChI=1S/C12H28N2O/c1-11(2)12(3)13-7-6-8-14(4)9-10-15-5/h11-13H,6-10H2,1-5H3
InChIKeyBGSYTZWKNXCWIP-UHFFFAOYSA-N
XLogP1.59
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.37
LogP ≤ 51.59
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 N'-(2-methoxyethyl)-N'-methyl-N-(3-methylbutan-2-yl)propane-1,3-diamine?
The IUPAC name of N'-(2-methoxyethyl)-N'-methyl-N-(3-methylbutan-2-yl)propane-1,3-diamine (CID 115709397) is N'-(2-methoxyethyl)-N'-methyl-N-(3-methylbutan-2-yl)propane-1,3-diamine.
What is the SMILES notation for N'-(2-methoxyethyl)-N'-methyl-N-(3-methylbutan-2-yl)propane-1,3-diamine?
The canonical SMILES for N'-(2-methoxyethyl)-N'-methyl-N-(3-methylbutan-2-yl)propane-1,3-diamine is COCCN(C)CCCNC(C)C(C)C.
What is the InChIKey of N'-(2-methoxyethyl)-N'-methyl-N-(3-methylbutan-2-yl)propane-1,3-diamine?
The InChIKey is BGSYTZWKNXCWIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O/c1-11(2)12(3)13-7-6-8-14(4)9-10-15-5/h11-13H,6-10H2,1-5H3.
What are the key properties of N'-(2-methoxyethyl)-N'-methyl-N-(3-methylbutan-2-yl)propane-1,3-diamine?
N'-(2-methoxyethyl)-N'-methyl-N-(3-methylbutan-2-yl)propane-1,3-diamine has a molecular weight of 216.37 g/mol, XLogP of 1.59, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methoxyethyl)-N'-methyl-N-(3-methylbutan-2-yl)propane-1,3-diamine is sourced from PubChem (CID 115709397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).