N'-[2-(dimethylamino)ethyl]-N-(2-methoxyethyl)-N'-propylethane-1,2-diamine

C12H29N3O — CID 62574418

IUPACN'-[2-(dimethylamino)ethyl]-N-(2-methoxyethyl)-N'-propylethane-1,2-diamine
SMILESCCCN(CCNCCOC)CCN(C)C
InChIInChI=1S/C12H29N3O/c1-5-8-15(11-10-14(2)3)9-6-13-7-12-16-4/h13H,5-12H2,1-4H3
InChIKeyZINSYJUAPVLQNE-UHFFFAOYSA-N
MW231.38 g/mol
LogP0.50
Rot. Bonds11

About N'-[2-(dimethylamino)ethyl]-N-(2-methoxyethyl)-N'-propylethane-1,2-diamine

N'-[2-(dimethylamino)ethyl]-N-(2-methoxyethyl)-N'-propylethane-1,2-diamine (PubChem CID 62574418) has the molecular formula C12H29N3O and a molecular weight of 231.38 g/mol. Its IUPAC name is N'-[2-(dimethylamino)ethyl]-N-(2-methoxyethyl)-N'-propylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-(dimethylamino)ethyl]-N-(2-methoxyethyl)-N'-propylethane-1,2-diamine
PubChem CID62574418
Molecular FormulaC12H29N3O
Molecular Weight231.38 g/mol
Exact Mass231.23
IUPAC NameN'-[2-(dimethylamino)ethyl]-N-(2-methoxyethyl)-N'-propylethane-1,2-diamine
SMILESCCCN(CCNCCOC)CCN(C)C
InChIInChI=1S/C12H29N3O/c1-5-8-15(11-10-14(2)3)9-6-13-7-12-16-4/h13H,5-12H2,1-4H3
InChIKeyZINSYJUAPVLQNE-UHFFFAOYSA-N
XLogP0.50
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 50.50
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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Related Compounds

N'-butyl-N'-[2-(iodoamino)ethyl]-N-(2-methoxyethyl)ethane-1,2-diamine
CID 166766087
N'-butyl-N'-ethyl-N-(2-methoxyethyl)ethane-1,2-diamine
CID 62575465
N-[2-[ethyl(propyl)amino]ethyl]-N',N'-dimethylethane-1,2-diamine
CID 62573813
N-(2-methoxyethyl)-N',N'-bis(2-methylpropyl)ethane-1,2-diamine
CID 62574591
N',N'-dibutyl-N-(2-methoxyethyl)butane-1,4-diamine
CID 62569487
N'-[2-(dimethylamino)ethyl]-N,N'-dipropylbutane-1,4-diamine
CID 62436376
N-(2-butoxyethyl)-N',N'-bis(2-methoxyethyl)ethane-1,2-diamine
CID 62559728
N-[2-(dibutylamino)ethyl]-N',N'-dimethylethane-1,2-diamine
CID 55085123
N-(2-bromoethyl)-N',N'-dipropylethane-1,2-diamine
CID 46738413
N-butyl-N',N'-dipropylethane-1,2-diamine
CID 54806933
N',N'-dimethyl-N-propylethane-1,2-diamine;ethane
CID 134080811
N'-ethyl-N'-(2-ethylbutyl)-N-(2-methoxyethyl)ethane-1,2-diamine
CID 62574596

Frequently Asked Questions

What is the IUPAC name of N'-[2-(dimethylamino)ethyl]-N-(2-methoxyethyl)-N'-propylethane-1,2-diamine?
The IUPAC name of N'-[2-(dimethylamino)ethyl]-N-(2-methoxyethyl)-N'-propylethane-1,2-diamine (CID 62574418) is N'-[2-(dimethylamino)ethyl]-N-(2-methoxyethyl)-N'-propylethane-1,2-diamine.
What is the SMILES notation for N'-[2-(dimethylamino)ethyl]-N-(2-methoxyethyl)-N'-propylethane-1,2-diamine?
The canonical SMILES for N'-[2-(dimethylamino)ethyl]-N-(2-methoxyethyl)-N'-propylethane-1,2-diamine is CCCN(CCNCCOC)CCN(C)C.
What is the InChIKey of N'-[2-(dimethylamino)ethyl]-N-(2-methoxyethyl)-N'-propylethane-1,2-diamine?
The InChIKey is ZINSYJUAPVLQNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H29N3O/c1-5-8-15(11-10-14(2)3)9-6-13-7-12-16-4/h13H,5-12H2,1-4H3.
What are the key properties of N'-[2-(dimethylamino)ethyl]-N-(2-methoxyethyl)-N'-propylethane-1,2-diamine?
N'-[2-(dimethylamino)ethyl]-N-(2-methoxyethyl)-N'-propylethane-1,2-diamine has a molecular weight of 231.38 g/mol, XLogP of 0.50, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(dimethylamino)ethyl]-N-(2-methoxyethyl)-N'-propylethane-1,2-diamine is sourced from PubChem (CID 62574418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).