N'-methyl-N'-(2-propoxyethyl)-N-propylethane-1,2-diamine

C11H26N2O — CID 106453516

IUPACN'-methyl-N'-(2-propoxyethyl)-N-propylethane-1,2-diamine
SMILESCCCNCCN(C)CCOCCC
InChIInChI=1S/C11H26N2O/c1-4-6-12-7-8-13(3)9-11-14-10-5-2/h12H,4-11H2,1-3H3
InChIKeyUYHIHWKBHMTBCY-UHFFFAOYSA-N
MW202.34 g/mol
LogP1.34
Rot. Bonds10

About N'-methyl-N'-(2-propoxyethyl)-N-propylethane-1,2-diamine

N'-methyl-N'-(2-propoxyethyl)-N-propylethane-1,2-diamine (PubChem CID 106453516) has the molecular formula C11H26N2O and a molecular weight of 202.34 g/mol. Its IUPAC name is N'-methyl-N'-(2-propoxyethyl)-N-propylethane-1,2-diamine.

Molecular Properties

Compound NameN'-methyl-N'-(2-propoxyethyl)-N-propylethane-1,2-diamine
PubChem CID106453516
Molecular FormulaC11H26N2O
Molecular Weight202.34 g/mol
Exact Mass202.20
IUPAC NameN'-methyl-N'-(2-propoxyethyl)-N-propylethane-1,2-diamine
SMILESCCCNCCN(C)CCOCCC
InChIInChI=1S/C11H26N2O/c1-4-6-12-7-8-13(3)9-11-14-10-5-2/h12H,4-11H2,1-3H3
InChIKeyUYHIHWKBHMTBCY-UHFFFAOYSA-N
XLogP1.34
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N'-methyl-N'-(2-propoxyethyl)-N-propylethane-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

N'-methyl-N-propyl-N'-[2-(2,2,2-trifluoroethoxy)ethyl]ethane-1,2-diamine
CID 62591348
2-[2-[2-(ethylamino)ethyl-methylamino]ethoxy]ethanol
CID 142883467
ethane;N-[2-[2-(ethylamino)ethoxy]ethyl]-N-methylpropan-1-amine
CID 155751833
N,N'-dimethyl-N-pentyl-N'-[2-(2-propoxyethoxy)ethyl]ethane-1,2-diamine
CID 167513119
5-[2-(dimethylamino)ethoxy]-N-propylpentan-1-amine
CID 62458591
N-heptyl-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 62844812
N,N-dimethyl-3-[2-(propylamino)ethoxy]propan-1-amine
CID 55210850
N-(cyclopropylmethyl)-N'-(2-ethoxyethyl)-N'-methylethane-1,2-diamine
CID 81055453
N-methyl-N-[2-[2-(propylamino)ethoxy]ethyl]cyclopropanamine
CID 102740758
4-[methyl(2-propoxyethyl)amino]butan-2-ol
CID 106456260
4-[3-(dimethylamino)propoxy]-N-propylbutan-1-amine
CID 62458821
N',N'-dimethyl-N-propylethane-1,2-diamine;ethane
CID 134080811

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-(2-propoxyethyl)-N-propylethane-1,2-diamine?
The IUPAC name of N'-methyl-N'-(2-propoxyethyl)-N-propylethane-1,2-diamine (CID 106453516) is N'-methyl-N'-(2-propoxyethyl)-N-propylethane-1,2-diamine.
What is the SMILES notation for N'-methyl-N'-(2-propoxyethyl)-N-propylethane-1,2-diamine?
The canonical SMILES for N'-methyl-N'-(2-propoxyethyl)-N-propylethane-1,2-diamine is CCCNCCN(C)CCOCCC.
What is the InChIKey of N'-methyl-N'-(2-propoxyethyl)-N-propylethane-1,2-diamine?
The InChIKey is UYHIHWKBHMTBCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2O/c1-4-6-12-7-8-13(3)9-11-14-10-5-2/h12H,4-11H2,1-3H3.
What are the key properties of N'-methyl-N'-(2-propoxyethyl)-N-propylethane-1,2-diamine?
N'-methyl-N'-(2-propoxyethyl)-N-propylethane-1,2-diamine has a molecular weight of 202.34 g/mol, XLogP of 1.34, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-(2-propoxyethyl)-N-propylethane-1,2-diamine is sourced from PubChem (CID 106453516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).