N'-(3-ethoxypropyl)-N-methylethane-1,2-diamine

C8H20N2O — CID 62560492

IUPACN'-(3-ethoxypropyl)-N-methylethane-1,2-diamine
SMILESCCOCCCNCCNC
InChIInChI=1S/C8H20N2O/c1-3-11-8-4-5-10-7-6-9-2/h9-10H,3-8H2,1-2H3
InChIKeyUZWRKJQYNJWHHM-UHFFFAOYSA-N
MW160.26 g/mol
LogP0.22
Rot. Bonds8

About N'-(3-ethoxypropyl)-N-methylethane-1,2-diamine

N'-(3-ethoxypropyl)-N-methylethane-1,2-diamine (PubChem CID 62560492) has the molecular formula C8H20N2O and a molecular weight of 160.26 g/mol. Its IUPAC name is N'-(3-ethoxypropyl)-N-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(3-ethoxypropyl)-N-methylethane-1,2-diamine
PubChem CID62560492
Molecular FormulaC8H20N2O
Molecular Weight160.26 g/mol
Exact Mass160.16
IUPAC NameN'-(3-ethoxypropyl)-N-methylethane-1,2-diamine
SMILESCCOCCCNCCNC
InChIInChI=1S/C8H20N2O/c1-3-11-8-4-5-10-7-6-9-2/h9-10H,3-8H2,1-2H3
InChIKeyUZWRKJQYNJWHHM-UHFFFAOYSA-N
XLogP0.22
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-ethoxy-N-(3-fluoropropyl)propan-1-amine
CID 81107172
4-ethoxy-N-(2-ethoxyethyl)butan-1-amine
CID 62565193
N'-(3-methoxypropyl)-N-methylethane-1,2-diamine
CID 54808435
N-methyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine
CID 103208056
7-ethoxy-N-propylheptan-1-amine
CID 163393813
4-ethoxy-N-[2-(2-ethoxyethoxy)ethyl]butan-1-amine
CID 62565012
N-(3-ethoxypropyl)-4,4,4-trifluorobutan-1-amine
CID 115513495
bis[3-(3-ethoxypropylamino)propyl] sulfate
CID 155409951
N-ethyl-N'-[2-(methylamino)ethyl]propane-1,3-diamine
CID 170744113
N-(2-butan-2-yloxyethyl)-3-ethoxypropan-1-amine
CID 62583430
3-ethoxy-N-(2-propan-2-ylsulfanylethyl)propan-1-amine
CID 62579302
N-(3-ethoxypropyl)-3-methoxy-3-methylbutan-1-amine
CID 103033107

Frequently Asked Questions

What is the IUPAC name of N'-(3-ethoxypropyl)-N-methylethane-1,2-diamine?
The IUPAC name of N'-(3-ethoxypropyl)-N-methylethane-1,2-diamine (CID 62560492) is N'-(3-ethoxypropyl)-N-methylethane-1,2-diamine.
What is the SMILES notation for N'-(3-ethoxypropyl)-N-methylethane-1,2-diamine?
The canonical SMILES for N'-(3-ethoxypropyl)-N-methylethane-1,2-diamine is CCOCCCNCCNC.
What is the InChIKey of N'-(3-ethoxypropyl)-N-methylethane-1,2-diamine?
The InChIKey is UZWRKJQYNJWHHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2O/c1-3-11-8-4-5-10-7-6-9-2/h9-10H,3-8H2,1-2H3.
What are the key properties of N'-(3-ethoxypropyl)-N-methylethane-1,2-diamine?
N'-(3-ethoxypropyl)-N-methylethane-1,2-diamine has a molecular weight of 160.26 g/mol, XLogP of 0.22, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-ethoxypropyl)-N-methylethane-1,2-diamine is sourced from PubChem (CID 62560492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).