N,N'-dimethyl-N-pentyl-N'-[2-(2-propoxyethoxy)ethyl]ethane-1,2-diamine

C16H36N2O2 — CID 167513119

IUPACN,N'-dimethyl-N-pentyl-N'-[2-(2-propoxyethoxy)ethyl]ethane-1,2-diamine
SMILESCCCCCN(C)CCN(C)CCOCCOCCC
InChIInChI=1S/C16H36N2O2/c1-5-7-8-9-17(3)10-11-18(4)12-14-20-16-15-19-13-6-2/h5-16H2,1-4H3
InChIKeyABTBMCKOQPRYGZ-UHFFFAOYSA-N
MW288.48 g/mol
LogP2.48
Rot. Bonds15

About N,N'-dimethyl-N-pentyl-N'-[2-(2-propoxyethoxy)ethyl]ethane-1,2-diamine

N,N'-dimethyl-N-pentyl-N'-[2-(2-propoxyethoxy)ethyl]ethane-1,2-diamine (PubChem CID 167513119) has the molecular formula C16H36N2O2 and a molecular weight of 288.48 g/mol. Its IUPAC name is N,N'-dimethyl-N-pentyl-N'-[2-(2-propoxyethoxy)ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN,N'-dimethyl-N-pentyl-N'-[2-(2-propoxyethoxy)ethyl]ethane-1,2-diamine
PubChem CID167513119
Molecular FormulaC16H36N2O2
Molecular Weight288.48 g/mol
Exact Mass288.28
IUPAC NameN,N'-dimethyl-N-pentyl-N'-[2-(2-propoxyethoxy)ethyl]ethane-1,2-diamine
SMILESCCCCCN(C)CCN(C)CCOCCOCCC
InChIInChI=1S/C16H36N2O2/c1-5-7-8-9-17(3)10-11-18(4)12-14-20-16-15-19-13-6-2/h5-16H2,1-4H3
InChIKeyABTBMCKOQPRYGZ-UHFFFAOYSA-N
XLogP2.48
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N,N'-dimethyl-N-pentyl-N'-[2-(2-propoxyethoxy)ethyl]ethane-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-[2-[2-[2-[di(undecyl)amino]ethoxy]ethoxy]ethyl]-N-methylundecan-1-amine
CID 171750134
ethane;2-[2-[methyl(octyl)amino]ethoxy]ethanol
CID 156751317
N-[2-[3-(2-methoxyethoxy)propoxy]ethyl]-N-methylbutan-1-amine
CID 156867947
N-[2-(2-chloroethoxy)ethyl]-N-methylbutan-1-amine
CID 63666271
N-methyl-N-octadecyloctadecan-1-amine;N-methyl-N-tetradecyltetradecan-1-amine
CID 172776346
N-butyl-N-methylpentan-1-amine
CID 54060013
N-hexyl-N-methyldodecan-1-amine
CID 139978744
N-dodecyl-N-methyldodecan-1-amine;tetradecane
CID 118268401
N-hexadecyl-N-methylicosan-1-amine
CID 21242596
N-methyl-N-tridecyltetradecan-1-amine
CID 87351995
N-methyl-N-octylundecan-1-amine
CID 140654810
N,N'-dimethyl-N,N'-dioctyldecane-1,10-diamine
CID 19772875

Frequently Asked Questions

What is the IUPAC name of N,N'-dimethyl-N-pentyl-N'-[2-(2-propoxyethoxy)ethyl]ethane-1,2-diamine?
The IUPAC name of N,N'-dimethyl-N-pentyl-N'-[2-(2-propoxyethoxy)ethyl]ethane-1,2-diamine (CID 167513119) is N,N'-dimethyl-N-pentyl-N'-[2-(2-propoxyethoxy)ethyl]ethane-1,2-diamine.
What is the SMILES notation for N,N'-dimethyl-N-pentyl-N'-[2-(2-propoxyethoxy)ethyl]ethane-1,2-diamine?
The canonical SMILES for N,N'-dimethyl-N-pentyl-N'-[2-(2-propoxyethoxy)ethyl]ethane-1,2-diamine is CCCCCN(C)CCN(C)CCOCCOCCC.
What is the InChIKey of N,N'-dimethyl-N-pentyl-N'-[2-(2-propoxyethoxy)ethyl]ethane-1,2-diamine?
The InChIKey is ABTBMCKOQPRYGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36N2O2/c1-5-7-8-9-17(3)10-11-18(4)12-14-20-16-15-19-13-6-2/h5-16H2,1-4H3.
What are the key properties of N,N'-dimethyl-N-pentyl-N'-[2-(2-propoxyethoxy)ethyl]ethane-1,2-diamine?
N,N'-dimethyl-N-pentyl-N'-[2-(2-propoxyethoxy)ethyl]ethane-1,2-diamine has a molecular weight of 288.48 g/mol, XLogP of 2.48, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethyl-N-pentyl-N'-[2-(2-propoxyethoxy)ethyl]ethane-1,2-diamine is sourced from PubChem (CID 167513119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).