N'-(2-aminoethyl)ethane-1,2-diamine;prop-2-enamide

C7H18N4O — CID 22003165

IUPACN'-(2-aminoethyl)ethane-1,2-diamine;prop-2-enamide
SMILESC=CC(N)=O.NCCNCCN
InChIInChI=1S/C4H13N3.C3H5NO/c5-1-3-7-4-2-6;1-2-3(4)5/h7H,1-6H2;2H,1H2,(H2,4,5)
InChIKeyYAZVLVQKKQZZSO-UHFFFAOYSA-N
MW174.25 g/mol
LogP-1.85
Rot. Bonds5

About N'-(2-aminoethyl)ethane-1,2-diamine;prop-2-enamide

N'-(2-aminoethyl)ethane-1,2-diamine;prop-2-enamide (PubChem CID 22003165) has the molecular formula C7H18N4O and a molecular weight of 174.25 g/mol. Its IUPAC name is N'-(2-aminoethyl)ethane-1,2-diamine;prop-2-enamide.

Molecular Properties

Compound NameN'-(2-aminoethyl)ethane-1,2-diamine;prop-2-enamide
PubChem CID22003165
Molecular FormulaC7H18N4O
Molecular Weight174.25 g/mol
Exact Mass174.15
IUPAC NameN'-(2-aminoethyl)ethane-1,2-diamine;prop-2-enamide
SMILESC=CC(N)=O.NCCNCCN
InChIInChI=1S/C4H13N3.C3H5NO/c5-1-3-7-4-2-6;1-2-3(4)5/h7H,1-6H2;2H,1H2,(H2,4,5)
InChIKeyYAZVLVQKKQZZSO-UHFFFAOYSA-N
XLogP-1.85
TPSA107.16 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 5-1.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(2-aminoethyl)ethane-1,2-diamine;prop-2-enamide?
The IUPAC name of N'-(2-aminoethyl)ethane-1,2-diamine;prop-2-enamide (CID 22003165) is N'-(2-aminoethyl)ethane-1,2-diamine;prop-2-enamide.
What is the SMILES notation for N'-(2-aminoethyl)ethane-1,2-diamine;prop-2-enamide?
The canonical SMILES for N'-(2-aminoethyl)ethane-1,2-diamine;prop-2-enamide is C=CC(N)=O.NCCNCCN.
What is the InChIKey of N'-(2-aminoethyl)ethane-1,2-diamine;prop-2-enamide?
The InChIKey is YAZVLVQKKQZZSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H13N3.C3H5NO/c5-1-3-7-4-2-6;1-2-3(4)5/h7H,1-6H2;2H,1H2,(H2,4,5).
What are the key properties of N'-(2-aminoethyl)ethane-1,2-diamine;prop-2-enamide?
N'-(2-aminoethyl)ethane-1,2-diamine;prop-2-enamide has a molecular weight of 174.25 g/mol, XLogP of -1.85, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-aminoethyl)ethane-1,2-diamine;prop-2-enamide is sourced from PubChem (CID 22003165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).