N-[2-(2-aminoethylamino)ethyl]prop-2-enamide

C7H15N3O — CID 23526136

IUPACN-[2-(2-aminoethylamino)ethyl]prop-2-enamide
SMILESC=CC(=O)NCCNCCN
InChIInChI=1S/C7H15N3O/c1-2-7(11)10-6-5-9-4-3-8/h2,9H,1,3-6,8H2,(H,10,11)
InChIKeyMRVWKSCQNHUHLZ-UHFFFAOYSA-N
MW157.22 g/mol
LogP-1.16
Rot. Bonds6

About N-[2-(2-aminoethylamino)ethyl]prop-2-enamide

N-[2-(2-aminoethylamino)ethyl]prop-2-enamide (PubChem CID 23526136) has the molecular formula C7H15N3O and a molecular weight of 157.22 g/mol. Its IUPAC name is N-[2-(2-aminoethylamino)ethyl]prop-2-enamide.

Molecular Properties

Compound NameN-[2-(2-aminoethylamino)ethyl]prop-2-enamide
PubChem CID23526136
Molecular FormulaC7H15N3O
Molecular Weight157.22 g/mol
Exact Mass157.12
IUPAC NameN-[2-(2-aminoethylamino)ethyl]prop-2-enamide
SMILESC=CC(=O)NCCNCCN
InChIInChI=1S/C7H15N3O/c1-2-7(11)10-6-5-9-4-3-8/h2,9H,1,3-6,8H2,(H,10,11)
InChIKeyMRVWKSCQNHUHLZ-UHFFFAOYSA-N
XLogP-1.16
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.22
LogP ≤ 5-1.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-(2-aminoethylamino)ethyl]prop-2-enamide?
The IUPAC name of N-[2-(2-aminoethylamino)ethyl]prop-2-enamide (CID 23526136) is N-[2-(2-aminoethylamino)ethyl]prop-2-enamide.
What is the SMILES notation for N-[2-(2-aminoethylamino)ethyl]prop-2-enamide?
The canonical SMILES for N-[2-(2-aminoethylamino)ethyl]prop-2-enamide is C=CC(=O)NCCNCCN.
What is the InChIKey of N-[2-(2-aminoethylamino)ethyl]prop-2-enamide?
The InChIKey is MRVWKSCQNHUHLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O/c1-2-7(11)10-6-5-9-4-3-8/h2,9H,1,3-6,8H2,(H,10,11).
What are the key properties of N-[2-(2-aminoethylamino)ethyl]prop-2-enamide?
N-[2-(2-aminoethylamino)ethyl]prop-2-enamide has a molecular weight of 157.22 g/mol, XLogP of -1.16, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-aminoethylamino)ethyl]prop-2-enamide is sourced from PubChem (CID 23526136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).