2-N-(2-methoxyethyl)-2,4-dimethylpentane-1,2-diamine

C10H24N2O — CID 62539724

IUPAC2-N-(2-methoxyethyl)-2,4-dimethylpentane-1,2-diamine
SMILESCOCCNC(C)(CN)CC(C)C
InChIInChI=1S/C10H24N2O/c1-9(2)7-10(3,8-11)12-5-6-13-4/h9,12H,5-8,11H2,1-4H3
InChIKeyWKJFPXYACJKZTN-UHFFFAOYSA-N
MW188.31 g/mol
LogP0.99
Rot. Bonds7

About 2-N-(2-methoxyethyl)-2,4-dimethylpentane-1,2-diamine

2-N-(2-methoxyethyl)-2,4-dimethylpentane-1,2-diamine (PubChem CID 62539724) has the molecular formula C10H24N2O and a molecular weight of 188.31 g/mol. Its IUPAC name is 2-N-(2-methoxyethyl)-2,4-dimethylpentane-1,2-diamine.

Molecular Properties

Compound Name2-N-(2-methoxyethyl)-2,4-dimethylpentane-1,2-diamine
PubChem CID62539724
Molecular FormulaC10H24N2O
Molecular Weight188.31 g/mol
Exact Mass188.19
IUPAC Name2-N-(2-methoxyethyl)-2,4-dimethylpentane-1,2-diamine
SMILESCOCCNC(C)(CN)CC(C)C
InChIInChI=1S/C10H24N2O/c1-9(2)7-10(3,8-11)12-5-6-13-4/h9,12H,5-8,11H2,1-4H3
InChIKeyWKJFPXYACJKZTN-UHFFFAOYSA-N
XLogP0.99
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 50.99
H-Bond Donors ≤ 52
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 2-N-(2-methoxyethyl)-2,4-dimethylpentane-1,2-diamine?
The IUPAC name of 2-N-(2-methoxyethyl)-2,4-dimethylpentane-1,2-diamine (CID 62539724) is 2-N-(2-methoxyethyl)-2,4-dimethylpentane-1,2-diamine.
What is the SMILES notation for 2-N-(2-methoxyethyl)-2,4-dimethylpentane-1,2-diamine?
The canonical SMILES for 2-N-(2-methoxyethyl)-2,4-dimethylpentane-1,2-diamine is COCCNC(C)(CN)CC(C)C.
What is the InChIKey of 2-N-(2-methoxyethyl)-2,4-dimethylpentane-1,2-diamine?
The InChIKey is WKJFPXYACJKZTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2O/c1-9(2)7-10(3,8-11)12-5-6-13-4/h9,12H,5-8,11H2,1-4H3.
What are the key properties of 2-N-(2-methoxyethyl)-2,4-dimethylpentane-1,2-diamine?
2-N-(2-methoxyethyl)-2,4-dimethylpentane-1,2-diamine has a molecular weight of 188.31 g/mol, XLogP of 0.99, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-methoxyethyl)-2,4-dimethylpentane-1,2-diamine is sourced from PubChem (CID 62539724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).