2-N-(3-ethoxypropyl)-1-N-ethyl-1-N-methylpropane-1,2-diamine

C11H26N2O — CID 103109645

IUPAC2-N-(3-ethoxypropyl)-1-N-ethyl-1-N-methylpropane-1,2-diamine
SMILESCCOCCCNC(C)CN(C)CC
InChIInChI=1S/C11H26N2O/c1-5-13(4)10-11(3)12-8-7-9-14-6-2/h11-12H,5-10H2,1-4H3
InChIKeyOFUHEMFNDYWKRV-UHFFFAOYSA-N
MW202.34 g/mol
LogP1.34
Rot. Bonds9

About 2-N-(3-ethoxypropyl)-1-N-ethyl-1-N-methylpropane-1,2-diamine

2-N-(3-ethoxypropyl)-1-N-ethyl-1-N-methylpropane-1,2-diamine (PubChem CID 103109645) has the molecular formula C11H26N2O and a molecular weight of 202.34 g/mol. Its IUPAC name is 2-N-(3-ethoxypropyl)-1-N-ethyl-1-N-methylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-(3-ethoxypropyl)-1-N-ethyl-1-N-methylpropane-1,2-diamine
PubChem CID103109645
Molecular FormulaC11H26N2O
Molecular Weight202.34 g/mol
Exact Mass202.20
IUPAC Name2-N-(3-ethoxypropyl)-1-N-ethyl-1-N-methylpropane-1,2-diamine
SMILESCCOCCCNC(C)CN(C)CC
InChIInChI=1S/C11H26N2O/c1-5-13(4)10-11(3)12-8-7-9-14-6-2/h11-12H,5-10H2,1-4H3
InChIKeyOFUHEMFNDYWKRV-UHFFFAOYSA-N
XLogP1.34
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
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'}

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Related Compounds

2-N-(4-ethoxybutyl)-1-N-ethyl-1-N-methylpropane-1,2-diamine
CID 103109664
2-N-(3-ethoxypropyl)-1-N,1-N-diethylpropane-1,2-diamine
CID 65175830
1-N-ethyl-1-N-methyl-2-N-[3-(2,2,2-trifluoroethoxy)propyl]propane-1,2-diamine
CID 103208202
N-(3-ethoxypropyl)butan-2-amine
CID 43196213
5-[1-[ethyl(methyl)amino]propan-2-ylamino]pentan-2-ol
CID 103110031
1-(4-ethoxybutylamino)-2-[methyl(2-methylpropyl)amino]ethanol
CID 155034840
1-ethoxy-N-[3-(2-methoxyethoxy)propyl]propan-2-amine
CID 115707889
2-(3-ethoxypropylamino)-N,N-dimethylpropanamide
CID 43086240
N-(3-propoxypropyl)pentan-2-amine
CID 82940850
N-[3-(cyclopropylmethoxy)propyl]-1-ethoxypropan-2-amine
CID 115707824
1-N-(3-ethoxypropyl)-2-N,2-N-dimethylpropane-1,2-diamine
CID 62558176
2-N-(cyclohexylmethyl)-1-N-ethyl-1-N-methylpropane-1,2-diamine
CID 103109993

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-ethoxypropyl)-1-N-ethyl-1-N-methylpropane-1,2-diamine?
The IUPAC name of 2-N-(3-ethoxypropyl)-1-N-ethyl-1-N-methylpropane-1,2-diamine (CID 103109645) is 2-N-(3-ethoxypropyl)-1-N-ethyl-1-N-methylpropane-1,2-diamine.
What is the SMILES notation for 2-N-(3-ethoxypropyl)-1-N-ethyl-1-N-methylpropane-1,2-diamine?
The canonical SMILES for 2-N-(3-ethoxypropyl)-1-N-ethyl-1-N-methylpropane-1,2-diamine is CCOCCCNC(C)CN(C)CC.
What is the InChIKey of 2-N-(3-ethoxypropyl)-1-N-ethyl-1-N-methylpropane-1,2-diamine?
The InChIKey is OFUHEMFNDYWKRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2O/c1-5-13(4)10-11(3)12-8-7-9-14-6-2/h11-12H,5-10H2,1-4H3.
What are the key properties of 2-N-(3-ethoxypropyl)-1-N-ethyl-1-N-methylpropane-1,2-diamine?
2-N-(3-ethoxypropyl)-1-N-ethyl-1-N-methylpropane-1,2-diamine has a molecular weight of 202.34 g/mol, XLogP of 1.34, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-ethoxypropyl)-1-N-ethyl-1-N-methylpropane-1,2-diamine is sourced from PubChem (CID 103109645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).