3-methoxy-1-N,2-N-dimethyl-1-N-(4-methylpentan-2-yl)propane-1,2-diamine

C12H28N2O — CID 107505560

IUPAC3-methoxy-1-N,2-N-dimethyl-1-N-(4-methylpentan-2-yl)propane-1,2-diamine
SMILESCNC(COC)CN(C)C(C)CC(C)C
InChIInChI=1S/C12H28N2O/c1-10(2)7-11(3)14(5)8-12(13-4)9-15-6/h10-13H,7-9H2,1-6H3
InChIKeyXZAMWAZXHRJTRI-UHFFFAOYSA-N
MW216.37 g/mol
LogP1.59
Rot. Bonds8

About 3-methoxy-1-N,2-N-dimethyl-1-N-(4-methylpentan-2-yl)propane-1,2-diamine

3-methoxy-1-N,2-N-dimethyl-1-N-(4-methylpentan-2-yl)propane-1,2-diamine (PubChem CID 107505560) has the molecular formula C12H28N2O and a molecular weight of 216.37 g/mol. Its IUPAC name is 3-methoxy-1-N,2-N-dimethyl-1-N-(4-methylpentan-2-yl)propane-1,2-diamine.

Molecular Properties

Compound Name3-methoxy-1-N,2-N-dimethyl-1-N-(4-methylpentan-2-yl)propane-1,2-diamine
PubChem CID107505560
Molecular FormulaC12H28N2O
Molecular Weight216.37 g/mol
Exact Mass216.22
IUPAC Name3-methoxy-1-N,2-N-dimethyl-1-N-(4-methylpentan-2-yl)propane-1,2-diamine
SMILESCNC(COC)CN(C)C(C)CC(C)C
InChIInChI=1S/C12H28N2O/c1-10(2)7-11(3)14(5)8-12(13-4)9-15-6/h10-13H,7-9H2,1-6H3
InChIKeyXZAMWAZXHRJTRI-UHFFFAOYSA-N
XLogP1.59
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
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

Analyze 3-methoxy-1-N,2-N-dimethyl-1-N-(4-methylpentan-2-yl)propane-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,1-N,4-trimethyl-2-N-[2-(2,2,2-trifluoroethoxy)ethyl]pentane-1,2-diamine
CID 54963578
1-N,1-N,4-trimethyl-2-N-[2-(trifluoromethoxy)ethyl]pentane-1,2-diamine
CID 65803638
1-N,1-N,3-trimethyl-2-N-[2-(trifluoromethoxy)ethyl]butane-1,2-diamine
CID 65806035
N-[3-methoxy-2-[3-(trifluoromethyl)piperidin-1-yl]propyl]-2-methylpropan-1-amine
CID 103226814
3-methoxy-N-methyl-2-[3-(trifluoromethyl)piperidin-1-yl]propan-1-amine
CID 103226815
N-ethyl-3-methoxy-2-[3-(trifluoromethyl)piperidin-1-yl]propan-1-amine
CID 103226817
3-methoxy-N-propan-2-yl-2-[3-(trifluoromethyl)piperidin-1-yl]propan-1-amine
CID 103226818
3-methoxy-N-propyl-2-[3-(trifluoromethyl)piperidin-1-yl]propan-1-amine
CID 103226819
N-ethyl-1-methoxy-3-[3-(trifluoromethyl)piperidin-1-yl]propan-2-amine
CID 107505835
1-methoxy-N-propyl-3-[3-(trifluoromethyl)piperidin-1-yl]propan-2-amine
CID 107505836
1-methoxy-N-methyl-3-[3-(trifluoromethyl)piperidin-1-yl]propan-2-amine
CID 107505837
4-methyl-N-[2-[2-(4-methylpentan-2-ylamino)ethoxy]ethyl]pentan-2-amine
CID 18338936

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-N,2-N-dimethyl-1-N-(4-methylpentan-2-yl)propane-1,2-diamine?
The IUPAC name of 3-methoxy-1-N,2-N-dimethyl-1-N-(4-methylpentan-2-yl)propane-1,2-diamine (CID 107505560) is 3-methoxy-1-N,2-N-dimethyl-1-N-(4-methylpentan-2-yl)propane-1,2-diamine.
What is the SMILES notation for 3-methoxy-1-N,2-N-dimethyl-1-N-(4-methylpentan-2-yl)propane-1,2-diamine?
The canonical SMILES for 3-methoxy-1-N,2-N-dimethyl-1-N-(4-methylpentan-2-yl)propane-1,2-diamine is CNC(COC)CN(C)C(C)CC(C)C.
What is the InChIKey of 3-methoxy-1-N,2-N-dimethyl-1-N-(4-methylpentan-2-yl)propane-1,2-diamine?
The InChIKey is XZAMWAZXHRJTRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O/c1-10(2)7-11(3)14(5)8-12(13-4)9-15-6/h10-13H,7-9H2,1-6H3.
What are the key properties of 3-methoxy-1-N,2-N-dimethyl-1-N-(4-methylpentan-2-yl)propane-1,2-diamine?
3-methoxy-1-N,2-N-dimethyl-1-N-(4-methylpentan-2-yl)propane-1,2-diamine has a molecular weight of 216.37 g/mol, XLogP of 1.59, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-N,2-N-dimethyl-1-N-(4-methylpentan-2-yl)propane-1,2-diamine is sourced from PubChem (CID 107505560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).