N'-[2-[2-(dimethylamino)ethoxy]ethyl]-N'-methylpropane-1,3-diamine

C10H25N3O — CID 18945537

IUPACN'-[2-[2-(dimethylamino)ethoxy]ethyl]-N'-methylpropane-1,3-diamine
SMILESCN(C)CCOCCN(C)CCCN
InChIInChI=1S/C10H25N3O/c1-12(2)7-9-14-10-8-13(3)6-4-5-11/h4-11H2,1-3H3
InChIKeyDNRUQHYIUPKPOQ-UHFFFAOYSA-N
MW203.33 g/mol
LogP-0.15
Rot. Bonds9

About N'-[2-[2-(dimethylamino)ethoxy]ethyl]-N'-methylpropane-1,3-diamine

N'-[2-[2-(dimethylamino)ethoxy]ethyl]-N'-methylpropane-1,3-diamine (PubChem CID 18945537) has the molecular formula C10H25N3O and a molecular weight of 203.33 g/mol. Its IUPAC name is N'-[2-[2-(dimethylamino)ethoxy]ethyl]-N'-methylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[2-[2-(dimethylamino)ethoxy]ethyl]-N'-methylpropane-1,3-diamine
PubChem CID18945537
Molecular FormulaC10H25N3O
Molecular Weight203.33 g/mol
Exact Mass203.20
IUPAC NameN'-[2-[2-(dimethylamino)ethoxy]ethyl]-N'-methylpropane-1,3-diamine
SMILESCN(C)CCOCCN(C)CCCN
InChIInChI=1S/C10H25N3O/c1-12(2)7-9-14-10-8-13(3)6-4-5-11/h4-11H2,1-3H3
InChIKeyDNRUQHYIUPKPOQ-UHFFFAOYSA-N
XLogP-0.15
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[2-[2-(dimethylamino)ethoxy]ethyl]-N'-methylpropane-1,3-diamine?
The IUPAC name of N'-[2-[2-(dimethylamino)ethoxy]ethyl]-N'-methylpropane-1,3-diamine (CID 18945537) is N'-[2-[2-(dimethylamino)ethoxy]ethyl]-N'-methylpropane-1,3-diamine.
What is the SMILES notation for N'-[2-[2-(dimethylamino)ethoxy]ethyl]-N'-methylpropane-1,3-diamine?
The canonical SMILES for N'-[2-[2-(dimethylamino)ethoxy]ethyl]-N'-methylpropane-1,3-diamine is CN(C)CCOCCN(C)CCCN.
What is the InChIKey of N'-[2-[2-(dimethylamino)ethoxy]ethyl]-N'-methylpropane-1,3-diamine?
The InChIKey is DNRUQHYIUPKPOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H25N3O/c1-12(2)7-9-14-10-8-13(3)6-4-5-11/h4-11H2,1-3H3.
What are the key properties of N'-[2-[2-(dimethylamino)ethoxy]ethyl]-N'-methylpropane-1,3-diamine?
N'-[2-[2-(dimethylamino)ethoxy]ethyl]-N'-methylpropane-1,3-diamine has a molecular weight of 203.33 g/mol, XLogP of -0.15, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[2-(dimethylamino)ethoxy]ethyl]-N'-methylpropane-1,3-diamine is sourced from PubChem (CID 18945537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).