5-methoxy-1-N-methyl-1-N-(2-propan-2-yloxyethyl)pentane-1,2-diamine

C12H28N2O2 — CID 81102660

IUPAC5-methoxy-1-N-methyl-1-N-(2-propan-2-yloxyethyl)pentane-1,2-diamine
SMILESCOCCCC(N)CN(C)CCOC(C)C
InChIInChI=1S/C12H28N2O2/c1-11(2)16-9-7-14(3)10-12(13)6-5-8-15-4/h11-12H,5-10,13H2,1-4H3
InChIKeyKZMGWEJGGIHMGT-UHFFFAOYSA-N
MW232.37 g/mol
LogP1.10
Rot. Bonds10

About 5-methoxy-1-N-methyl-1-N-(2-propan-2-yloxyethyl)pentane-1,2-diamine

5-methoxy-1-N-methyl-1-N-(2-propan-2-yloxyethyl)pentane-1,2-diamine (PubChem CID 81102660) has the molecular formula C12H28N2O2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 5-methoxy-1-N-methyl-1-N-(2-propan-2-yloxyethyl)pentane-1,2-diamine.

Molecular Properties

Compound Name5-methoxy-1-N-methyl-1-N-(2-propan-2-yloxyethyl)pentane-1,2-diamine
PubChem CID81102660
Molecular FormulaC12H28N2O2
Molecular Weight232.37 g/mol
Exact Mass232.22
IUPAC Name5-methoxy-1-N-methyl-1-N-(2-propan-2-yloxyethyl)pentane-1,2-diamine
SMILESCOCCCC(N)CN(C)CCOC(C)C
InChIInChI=1S/C12H28N2O2/c1-11(2)16-9-7-14(3)10-12(13)6-5-8-15-4/h11-12H,5-10,13H2,1-4H3
InChIKeyKZMGWEJGGIHMGT-UHFFFAOYSA-N
XLogP1.10
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-methoxy-1-N-methyl-1-N-(2-propan-2-yloxyethyl)pentane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-N-methyl-1-N-(2-propan-2-yloxyethyl)hexane-1,2-diamine
CID 81055682
5-methoxy-1-N,1-N-dimethylpentane-1,2-diamine
CID 81101856
1-methoxy-7-methyloctan-4-amine
CID 62603924
5-methoxy-1-N-(2-methoxyethyl)-1-N-propan-2-ylpentane-1,2-diamine
CID 82951400
1-N-methyl-4-phenyl-1-N-(2-propan-2-yloxyethyl)butane-1,2-diamine
CID 114929811
1-N-(2-ethoxyethyl)-4-methoxy-1-N-methylbutane-1,2-diamine
CID 81056203
2,2-dimethoxy-N-methyl-N-(2-propan-2-yloxyethyl)ethanamine
CID 81057838
1-N,1-N-dibutyl-5-methoxypentane-1,2-diamine
CID 81101024
(2S)-1-[methyl(2-propan-2-yloxyethyl)amino]propan-2-ol
CID 103935283
2-amino-3-[methyl(2-propan-2-yloxyethyl)amino]propanamide
CID 81062306
5-methoxy-1-N-methyl-1-N-(2-methylbutan-2-yl)pentane-1,2-diamine
CID 81101412
1-methoxyheptan-4-amine
CID 43370439

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1-N-methyl-1-N-(2-propan-2-yloxyethyl)pentane-1,2-diamine?
The IUPAC name of 5-methoxy-1-N-methyl-1-N-(2-propan-2-yloxyethyl)pentane-1,2-diamine (CID 81102660) is 5-methoxy-1-N-methyl-1-N-(2-propan-2-yloxyethyl)pentane-1,2-diamine.
What is the SMILES notation for 5-methoxy-1-N-methyl-1-N-(2-propan-2-yloxyethyl)pentane-1,2-diamine?
The canonical SMILES for 5-methoxy-1-N-methyl-1-N-(2-propan-2-yloxyethyl)pentane-1,2-diamine is COCCCC(N)CN(C)CCOC(C)C.
What is the InChIKey of 5-methoxy-1-N-methyl-1-N-(2-propan-2-yloxyethyl)pentane-1,2-diamine?
The InChIKey is KZMGWEJGGIHMGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O2/c1-11(2)16-9-7-14(3)10-12(13)6-5-8-15-4/h11-12H,5-10,13H2,1-4H3.
What are the key properties of 5-methoxy-1-N-methyl-1-N-(2-propan-2-yloxyethyl)pentane-1,2-diamine?
5-methoxy-1-N-methyl-1-N-(2-propan-2-yloxyethyl)pentane-1,2-diamine has a molecular weight of 232.37 g/mol, XLogP of 1.10, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1-N-methyl-1-N-(2-propan-2-yloxyethyl)pentane-1,2-diamine is sourced from PubChem (CID 81102660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).