2-N,2-N-bis(2-methoxyethyl)-1-N-propylpropane-1,2-diamine

C12H28N2O2 — CID 62461602

IUPAC2-N,2-N-bis(2-methoxyethyl)-1-N-propylpropane-1,2-diamine
SMILESCCCNCC(C)N(CCOC)CCOC
InChIInChI=1S/C12H28N2O2/c1-5-6-13-11-12(2)14(7-9-15-3)8-10-16-4/h12-13H,5-11H2,1-4H3
InChIKeyUCRQWPSPFYURJM-UHFFFAOYSA-N
MW232.37 g/mol
LogP0.97
Rot. Bonds11

About 2-N,2-N-bis(2-methoxyethyl)-1-N-propylpropane-1,2-diamine

2-N,2-N-bis(2-methoxyethyl)-1-N-propylpropane-1,2-diamine (PubChem CID 62461602) has the molecular formula C12H28N2O2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 2-N,2-N-bis(2-methoxyethyl)-1-N-propylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N,2-N-bis(2-methoxyethyl)-1-N-propylpropane-1,2-diamine
PubChem CID62461602
Molecular FormulaC12H28N2O2
Molecular Weight232.37 g/mol
Exact Mass232.22
IUPAC Name2-N,2-N-bis(2-methoxyethyl)-1-N-propylpropane-1,2-diamine
SMILESCCCNCC(C)N(CCOC)CCOC
InChIInChI=1S/C12H28N2O2/c1-5-6-13-11-12(2)14(7-9-15-3)8-10-16-4/h12-13H,5-11H2,1-4H3
InChIKeyUCRQWPSPFYURJM-UHFFFAOYSA-N
XLogP0.97
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-N,2-N-bis(2-methoxyethyl)-1-N-propylpropane-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

3-N,3-N-bis(2-methoxyethyl)-2-methyl-1-N-propylbutane-1,3-diamine
CID 79409379
2-N-(2-methoxyethyl)-2-N-(3-methoxypropyl)-3-methyl-1-N-propylbutane-1,2-diamine
CID 62436501
1-N-butyl-2-N-(2-methoxyethyl)-2-N-(2-methylpropyl)propane-1,2-diamine
CID 62569030
2-N-(2-methoxyethyl)-1-N-(3-methylbutyl)-2-N-(2-methylpropyl)propane-1,2-diamine
CID 62569208
N'-butan-2-yl-N'-(2-methoxyethyl)-N-propylbutane-1,4-diamine
CID 62462963
3-methoxy-2-N-(2-methoxyethyl)-2-N-methyl-1-N-propylpropane-1,2-diamine
CID 103226294
2-N-[2-(dimethylamino)ethyl]-1-N,2-N-dipropylpropane-1,2-diamine
CID 62436377
2-N-(2-methoxyethyl)-1-N,2-N-bis(2-methylpropyl)propane-1,2-diamine
CID 55074311
1-[2-methoxyethyl(pentan-3-yl)amino]-3-(propylamino)propan-2-ol
CID 55004747
2-N-butan-2-yl-1-N-butyl-2-N-(2-methoxyethyl)propane-1,2-diamine
CID 55087275
4-methoxy-2,3-dimethyl-N-propylbutan-1-amine
CID 81016349
2-N-butan-2-yl-2-N-(2-methoxyethyl)-1-N-pentylpropane-1,2-diamine
CID 62570007

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-bis(2-methoxyethyl)-1-N-propylpropane-1,2-diamine?
The IUPAC name of 2-N,2-N-bis(2-methoxyethyl)-1-N-propylpropane-1,2-diamine (CID 62461602) is 2-N,2-N-bis(2-methoxyethyl)-1-N-propylpropane-1,2-diamine.
What is the SMILES notation for 2-N,2-N-bis(2-methoxyethyl)-1-N-propylpropane-1,2-diamine?
The canonical SMILES for 2-N,2-N-bis(2-methoxyethyl)-1-N-propylpropane-1,2-diamine is CCCNCC(C)N(CCOC)CCOC.
What is the InChIKey of 2-N,2-N-bis(2-methoxyethyl)-1-N-propylpropane-1,2-diamine?
The InChIKey is UCRQWPSPFYURJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O2/c1-5-6-13-11-12(2)14(7-9-15-3)8-10-16-4/h12-13H,5-11H2,1-4H3.
What are the key properties of 2-N,2-N-bis(2-methoxyethyl)-1-N-propylpropane-1,2-diamine?
2-N,2-N-bis(2-methoxyethyl)-1-N-propylpropane-1,2-diamine has a molecular weight of 232.37 g/mol, XLogP of 0.97, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-bis(2-methoxyethyl)-1-N-propylpropane-1,2-diamine is sourced from PubChem (CID 62461602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).