N-[2-(dimethylamino)ethyl]-N'-[2-[2-[2-[2-(dimethylamino)ethyl-ethylamino]ethylamino]ethoxy]-3-prop-2-enoxypropyl]ethane-1,2-diamine

C22H50N6O2 — CID 23516674

IUPACN-[2-(dimethylamino)ethyl]-N'-[2-[2-[2-[2-(dimethylamino)ethyl-ethylamino]ethylamino]ethoxy]-3-prop-2-enoxypropyl]ethane-1,2-diamine
SMILESC=CCOCC(CNCCNCCN(C)C)OCCNCCN(CC)CCN(C)C
InChIInChI=1S/C22H50N6O2/c1-7-18-29-21-22(20-25-10-9-23-11-14-26(3)4)30-19-13-24-12-15-28(8-2)17-16-27(5)6/h7,22-25H,1,8-21H2,2-6H3
InChIKeyBEKVKBGETIEGNU-UHFFFAOYSA-N
MW430.68 g/mol
LogP-0.21
Rot. Bonds23

About N-[2-(dimethylamino)ethyl]-N'-[2-[2-[2-[2-(dimethylamino)ethyl-ethylamino]ethylamino]ethoxy]-3-prop-2-enoxypropyl]ethane-1,2-diamine

N-[2-(dimethylamino)ethyl]-N'-[2-[2-[2-[2-(dimethylamino)ethyl-ethylamino]ethylamino]ethoxy]-3-prop-2-enoxypropyl]ethane-1,2-diamine (PubChem CID 23516674) has the molecular formula C22H50N6O2 and a molecular weight of 430.68 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-N'-[2-[2-[2-[2-(dimethylamino)ethyl-ethylamino]ethylamino]ethoxy]-3-prop-2-enoxypropyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-N'-[2-[2-[2-[2-(dimethylamino)ethyl-ethylamino]ethylamino]ethoxy]-3-prop-2-enoxypropyl]ethane-1,2-diamine
PubChem CID23516674
Molecular FormulaC22H50N6O2
Molecular Weight430.68 g/mol
Exact Mass430.40
IUPAC NameN-[2-(dimethylamino)ethyl]-N'-[2-[2-[2-[2-(dimethylamino)ethyl-ethylamino]ethylamino]ethoxy]-3-prop-2-enoxypropyl]ethane-1,2-diamine
SMILESC=CCOCC(CNCCNCCN(C)C)OCCNCCN(CC)CCN(C)C
InChIInChI=1S/C22H50N6O2/c1-7-18-29-21-22(20-25-10-9-23-11-14-26(3)4)30-19-13-24-12-15-28(8-2)17-16-27(5)6/h7,22-25H,1,8-21H2,2-6H3
InChIKeyBEKVKBGETIEGNU-UHFFFAOYSA-N
XLogP-0.21
TPSA64.27 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds23
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.68
LogP ≤ 5-0.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze N-[2-(dimethylamino)ethyl]-N'-[2-[2-[2-[2-(dimethylamino)ethyl-ethylamino]ethylamino]ethoxy]-3-prop-2-enoxypropyl]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

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-N'-[2-[2-[2-[2-(dimethylamino)ethyl-ethylamino]ethylamino]ethoxy]-3-prop-2-enoxypropyl]ethane-1,2-diamine?
The IUPAC name of N-[2-(dimethylamino)ethyl]-N'-[2-[2-[2-[2-(dimethylamino)ethyl-ethylamino]ethylamino]ethoxy]-3-prop-2-enoxypropyl]ethane-1,2-diamine (CID 23516674) is N-[2-(dimethylamino)ethyl]-N'-[2-[2-[2-[2-(dimethylamino)ethyl-ethylamino]ethylamino]ethoxy]-3-prop-2-enoxypropyl]ethane-1,2-diamine.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-N'-[2-[2-[2-[2-(dimethylamino)ethyl-ethylamino]ethylamino]ethoxy]-3-prop-2-enoxypropyl]ethane-1,2-diamine?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-N'-[2-[2-[2-[2-(dimethylamino)ethyl-ethylamino]ethylamino]ethoxy]-3-prop-2-enoxypropyl]ethane-1,2-diamine is C=CCOCC(CNCCNCCN(C)C)OCCNCCN(CC)CCN(C)C.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-N'-[2-[2-[2-[2-(dimethylamino)ethyl-ethylamino]ethylamino]ethoxy]-3-prop-2-enoxypropyl]ethane-1,2-diamine?
The InChIKey is BEKVKBGETIEGNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H50N6O2/c1-7-18-29-21-22(20-25-10-9-23-11-14-26(3)4)30-19-13-24-12-15-28(8-2)17-16-27(5)6/h7,22-25H,1,8-21H2,2-6H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-N'-[2-[2-[2-[2-(dimethylamino)ethyl-ethylamino]ethylamino]ethoxy]-3-prop-2-enoxypropyl]ethane-1,2-diamine?
N-[2-(dimethylamino)ethyl]-N'-[2-[2-[2-[2-(dimethylamino)ethyl-ethylamino]ethylamino]ethoxy]-3-prop-2-enoxypropyl]ethane-1,2-diamine has a molecular weight of 430.68 g/mol, XLogP of -0.21, 23 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-N'-[2-[2-[2-[2-(dimethylamino)ethyl-ethylamino]ethylamino]ethoxy]-3-prop-2-enoxypropyl]ethane-1,2-diamine is sourced from PubChem (CID 23516674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).