N-[2-(dimethylamino)ethyl]-N'-[2-[1-[2-[2-(dimethylamino)ethylamino]ethylamino]-3-prop-2-enoxypropan-2-yl]oxyethyl]ethane-1,2-diamine

C20H46N6O2 — CID 23516677

IUPACN-[2-(dimethylamino)ethyl]-N'-[2-[1-[2-[2-(dimethylamino)ethylamino]ethylamino]-3-prop-2-enoxypropan-2-yl]oxyethyl]ethane-1,2-diamine
SMILESC=CCOCC(CNCCNCCN(C)C)OCCNCCNCCN(C)C
InChIInChI=1S/C20H46N6O2/c1-6-16-27-19-20(18-24-10-9-22-12-15-26(4)5)28-17-13-23-8-7-21-11-14-25(2)3/h6,20-24H,1,7-19H2,2-5H3
InChIKeyVCEGUOZGRNZVBZ-UHFFFAOYSA-N
MW402.63 g/mol
LogP-0.94
Rot. Bonds22

About N-[2-(dimethylamino)ethyl]-N'-[2-[1-[2-[2-(dimethylamino)ethylamino]ethylamino]-3-prop-2-enoxypropan-2-yl]oxyethyl]ethane-1,2-diamine

N-[2-(dimethylamino)ethyl]-N'-[2-[1-[2-[2-(dimethylamino)ethylamino]ethylamino]-3-prop-2-enoxypropan-2-yl]oxyethyl]ethane-1,2-diamine (PubChem CID 23516677) has the molecular formula C20H46N6O2 and a molecular weight of 402.63 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-N'-[2-[1-[2-[2-(dimethylamino)ethylamino]ethylamino]-3-prop-2-enoxypropan-2-yl]oxyethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-N'-[2-[1-[2-[2-(dimethylamino)ethylamino]ethylamino]-3-prop-2-enoxypropan-2-yl]oxyethyl]ethane-1,2-diamine
PubChem CID23516677
Molecular FormulaC20H46N6O2
Molecular Weight402.63 g/mol
Exact Mass402.37
IUPAC NameN-[2-(dimethylamino)ethyl]-N'-[2-[1-[2-[2-(dimethylamino)ethylamino]ethylamino]-3-prop-2-enoxypropan-2-yl]oxyethyl]ethane-1,2-diamine
SMILESC=CCOCC(CNCCNCCN(C)C)OCCNCCNCCN(C)C
InChIInChI=1S/C20H46N6O2/c1-6-16-27-19-20(18-24-10-9-22-12-15-26(4)5)28-17-13-23-8-7-21-11-14-25(2)3/h6,20-24H,1,7-19H2,2-5H3
InChIKeyVCEGUOZGRNZVBZ-UHFFFAOYSA-N
XLogP-0.94
TPSA73.06 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds22
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.63
LogP ≤ 5-0.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-N'-[2-[1-[2-[2-(dimethylamino)ethylamino]ethylamino]-3-prop-2-enoxypropan-2-yl]oxyethyl]ethane-1,2-diamine?
The IUPAC name of N-[2-(dimethylamino)ethyl]-N'-[2-[1-[2-[2-(dimethylamino)ethylamino]ethylamino]-3-prop-2-enoxypropan-2-yl]oxyethyl]ethane-1,2-diamine (CID 23516677) is N-[2-(dimethylamino)ethyl]-N'-[2-[1-[2-[2-(dimethylamino)ethylamino]ethylamino]-3-prop-2-enoxypropan-2-yl]oxyethyl]ethane-1,2-diamine.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-N'-[2-[1-[2-[2-(dimethylamino)ethylamino]ethylamino]-3-prop-2-enoxypropan-2-yl]oxyethyl]ethane-1,2-diamine?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-N'-[2-[1-[2-[2-(dimethylamino)ethylamino]ethylamino]-3-prop-2-enoxypropan-2-yl]oxyethyl]ethane-1,2-diamine is C=CCOCC(CNCCNCCN(C)C)OCCNCCNCCN(C)C.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-N'-[2-[1-[2-[2-(dimethylamino)ethylamino]ethylamino]-3-prop-2-enoxypropan-2-yl]oxyethyl]ethane-1,2-diamine?
The InChIKey is VCEGUOZGRNZVBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H46N6O2/c1-6-16-27-19-20(18-24-10-9-22-12-15-26(4)5)28-17-13-23-8-7-21-11-14-25(2)3/h6,20-24H,1,7-19H2,2-5H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-N'-[2-[1-[2-[2-(dimethylamino)ethylamino]ethylamino]-3-prop-2-enoxypropan-2-yl]oxyethyl]ethane-1,2-diamine?
N-[2-(dimethylamino)ethyl]-N'-[2-[1-[2-[2-(dimethylamino)ethylamino]ethylamino]-3-prop-2-enoxypropan-2-yl]oxyethyl]ethane-1,2-diamine has a molecular weight of 402.63 g/mol, XLogP of -0.94, 22 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-N'-[2-[1-[2-[2-(dimethylamino)ethylamino]ethylamino]-3-prop-2-enoxypropan-2-yl]oxyethyl]ethane-1,2-diamine is sourced from PubChem (CID 23516677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).