3-N-(2-methoxyethyl)-3-N-(3-methoxypropyl)-1-N,2-dimethylbutane-1,3-diamine

C13H30N2O2 — CID 79409479

IUPAC3-N-(2-methoxyethyl)-3-N-(3-methoxypropyl)-1-N,2-dimethylbutane-1,3-diamine
SMILESCNCC(C)C(C)N(CCCOC)CCOC
InChIInChI=1S/C13H30N2O2/c1-12(11-14-3)13(2)15(8-10-17-5)7-6-9-16-4/h12-14H,6-11H2,1-5H3
InChIKeyXUHAXNKPPSVYLB-UHFFFAOYSA-N
MW246.39 g/mol
LogP1.22
Rot. Bonds11

About 3-N-(2-methoxyethyl)-3-N-(3-methoxypropyl)-1-N,2-dimethylbutane-1,3-diamine

3-N-(2-methoxyethyl)-3-N-(3-methoxypropyl)-1-N,2-dimethylbutane-1,3-diamine (PubChem CID 79409479) has the molecular formula C13H30N2O2 and a molecular weight of 246.39 g/mol. Its IUPAC name is 3-N-(2-methoxyethyl)-3-N-(3-methoxypropyl)-1-N,2-dimethylbutane-1,3-diamine.

Molecular Properties

Compound Name3-N-(2-methoxyethyl)-3-N-(3-methoxypropyl)-1-N,2-dimethylbutane-1,3-diamine
PubChem CID79409479
Molecular FormulaC13H30N2O2
Molecular Weight246.39 g/mol
Exact Mass246.23
IUPAC Name3-N-(2-methoxyethyl)-3-N-(3-methoxypropyl)-1-N,2-dimethylbutane-1,3-diamine
SMILESCNCC(C)C(C)N(CCCOC)CCOC
InChIInChI=1S/C13H30N2O2/c1-12(11-14-3)13(2)15(8-10-17-5)7-6-9-16-4/h12-14H,6-11H2,1-5H3
InChIKeyXUHAXNKPPSVYLB-UHFFFAOYSA-N
XLogP1.22
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.39
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-N-(2-methoxyethyl)-3-N-(3-methoxypropyl)-1-N,2-dimethylbutane-1,3-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

3-methoxy-N-(2-methoxyethyl)-N-propan-2-ylpropan-1-amine
CID 177187385
1-N-ethyl-3-N,3-N-bis(2-methoxyethyl)-2-methylbutane-1,3-diamine
CID 81019237
3-N,3-N-bis(2-methoxyethyl)-2-methyl-1-N-propylbutane-1,3-diamine
CID 79409379
2-N-(2-methoxyethyl)-1-N-methyl-2-N-(2-methylpropyl)propane-1,2-diamine
CID 62428889
2-N-(2-methoxyethyl)-1-N,2-N-dimethylpropane-1,2-diamine
CID 62447079
2-N-(2-methoxyethyl)-2-N-(3-methoxypropyl)-3-methyl-1-N-propylbutane-1,2-diamine
CID 62436501
N-(3-methoxypropyl)-N,2-dimethyl-3-(methylamino)propanamide
CID 79202132
2-N-(2-methoxyethyl)-1-N-methyl-2-N-propan-2-ylpropane-1,2-diamine
CID 82952553
N-[3-(2-methoxyethoxy)propyl]-N,N',2-trimethylpropane-1,3-diamine
CID 106915870
1-N,2-dimethyl-3-N,3-N-bis(2-methylpropyl)butane-1,3-diamine
CID 79409781
3-N-(3-methoxypropyl)-1-N,3-N-dimethylbutane-1,3-diamine
CID 63009569
2-(3-methoxypropylsulfanyl)-N-methylpropan-1-amine
CID 63857263

Frequently Asked Questions

What is the IUPAC name of 3-N-(2-methoxyethyl)-3-N-(3-methoxypropyl)-1-N,2-dimethylbutane-1,3-diamine?
The IUPAC name of 3-N-(2-methoxyethyl)-3-N-(3-methoxypropyl)-1-N,2-dimethylbutane-1,3-diamine (CID 79409479) is 3-N-(2-methoxyethyl)-3-N-(3-methoxypropyl)-1-N,2-dimethylbutane-1,3-diamine.
What is the SMILES notation for 3-N-(2-methoxyethyl)-3-N-(3-methoxypropyl)-1-N,2-dimethylbutane-1,3-diamine?
The canonical SMILES for 3-N-(2-methoxyethyl)-3-N-(3-methoxypropyl)-1-N,2-dimethylbutane-1,3-diamine is CNCC(C)C(C)N(CCCOC)CCOC.
What is the InChIKey of 3-N-(2-methoxyethyl)-3-N-(3-methoxypropyl)-1-N,2-dimethylbutane-1,3-diamine?
The InChIKey is XUHAXNKPPSVYLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2O2/c1-12(11-14-3)13(2)15(8-10-17-5)7-6-9-16-4/h12-14H,6-11H2,1-5H3.
What are the key properties of 3-N-(2-methoxyethyl)-3-N-(3-methoxypropyl)-1-N,2-dimethylbutane-1,3-diamine?
3-N-(2-methoxyethyl)-3-N-(3-methoxypropyl)-1-N,2-dimethylbutane-1,3-diamine has a molecular weight of 246.39 g/mol, XLogP of 1.22, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2-methoxyethyl)-3-N-(3-methoxypropyl)-1-N,2-dimethylbutane-1,3-diamine is sourced from PubChem (CID 79409479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).