N'-[2-(2-ethoxyethylamino)ethyl]ethane-1,2-diamine

C8H21N3O — CID 19028056

IUPACN'-[2-(2-ethoxyethylamino)ethyl]ethane-1,2-diamine
SMILESCCOCCNCCNCCN
InChIInChI=1S/C8H21N3O/c1-2-12-8-7-11-6-5-10-4-3-9/h10-11H,2-9H2,1H3
InChIKeyRCUZPDOZIICLCB-UHFFFAOYSA-N
MW175.28 g/mol
LogP-0.84
Rot. Bonds9

About N'-[2-(2-ethoxyethylamino)ethyl]ethane-1,2-diamine

N'-[2-(2-ethoxyethylamino)ethyl]ethane-1,2-diamine (PubChem CID 19028056) has the molecular formula C8H21N3O and a molecular weight of 175.28 g/mol. Its IUPAC name is N'-[2-(2-ethoxyethylamino)ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-(2-ethoxyethylamino)ethyl]ethane-1,2-diamine
PubChem CID19028056
Molecular FormulaC8H21N3O
Molecular Weight175.28 g/mol
Exact Mass175.17
IUPAC NameN'-[2-(2-ethoxyethylamino)ethyl]ethane-1,2-diamine
SMILESCCOCCNCCNCCN
InChIInChI=1S/C8H21N3O/c1-2-12-8-7-11-6-5-10-4-3-9/h10-11H,2-9H2,1H3
InChIKeyRCUZPDOZIICLCB-UHFFFAOYSA-N
XLogP-0.84
TPSA59.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.28
LogP ≤ 5-0.84
H-Bond Donors ≤ 53
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-ethoxyethylamino)ethyl]ethane-1,2-diamine?
The IUPAC name of N'-[2-(2-ethoxyethylamino)ethyl]ethane-1,2-diamine (CID 19028056) is N'-[2-(2-ethoxyethylamino)ethyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[2-(2-ethoxyethylamino)ethyl]ethane-1,2-diamine?
The canonical SMILES for N'-[2-(2-ethoxyethylamino)ethyl]ethane-1,2-diamine is CCOCCNCCNCCN.
What is the InChIKey of N'-[2-(2-ethoxyethylamino)ethyl]ethane-1,2-diamine?
The InChIKey is RCUZPDOZIICLCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H21N3O/c1-2-12-8-7-11-6-5-10-4-3-9/h10-11H,2-9H2,1H3.
What are the key properties of N'-[2-(2-ethoxyethylamino)ethyl]ethane-1,2-diamine?
N'-[2-(2-ethoxyethylamino)ethyl]ethane-1,2-diamine has a molecular weight of 175.28 g/mol, XLogP of -0.84, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-ethoxyethylamino)ethyl]ethane-1,2-diamine is sourced from PubChem (CID 19028056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).