N'-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine;prop-2-enamide

C13H33N7O — CID 170851960

IUPACN'-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine;prop-2-enamide
SMILESC=CC(N)=O.NCCNCCNCCNCCNCCN
InChIInChI=1S/C10H28N6.C3H5NO/c11-1-3-13-5-7-15-9-10-16-8-6-14-4-2-12;1-2-3(4)5/h13-16H,1-12H2;2H,1H2,(H2,4,5)
InChIKeyMKEQNITZOUHKPJ-UHFFFAOYSA-N
MW303.46 g/mol
LogP-3.08
Rot. Bonds14

About N'-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine;prop-2-enamide

N'-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine;prop-2-enamide (PubChem CID 170851960) has the molecular formula C13H33N7O and a molecular weight of 303.46 g/mol. Its IUPAC name is N'-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine;prop-2-enamide.

Molecular Properties

Compound NameN'-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine;prop-2-enamide
PubChem CID170851960
Molecular FormulaC13H33N7O
Molecular Weight303.46 g/mol
Exact Mass303.27
IUPAC NameN'-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine;prop-2-enamide
SMILESC=CC(N)=O.NCCNCCNCCNCCNCCN
InChIInChI=1S/C10H28N6.C3H5NO/c11-1-3-13-5-7-15-9-10-16-8-6-14-4-2-12;1-2-3(4)5/h13-16H,1-12H2;2H,1H2,(H2,4,5)
InChIKeyMKEQNITZOUHKPJ-UHFFFAOYSA-N
XLogP-3.08
TPSA143.25 Ų
H-Bond Donors7
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.46
LogP ≤ 5-3.08
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 107

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-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine;prop-2-enamide?
The IUPAC name of N'-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine;prop-2-enamide (CID 170851960) is N'-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine;prop-2-enamide.
What is the SMILES notation for N'-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine;prop-2-enamide?
The canonical SMILES for N'-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine;prop-2-enamide is C=CC(N)=O.NCCNCCNCCNCCNCCN.
What is the InChIKey of N'-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine;prop-2-enamide?
The InChIKey is MKEQNITZOUHKPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H28N6.C3H5NO/c11-1-3-13-5-7-15-9-10-16-8-6-14-4-2-12;1-2-3(4)5/h13-16H,1-12H2;2H,1H2,(H2,4,5).
What are the key properties of N'-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine;prop-2-enamide?
N'-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine;prop-2-enamide has a molecular weight of 303.46 g/mol, XLogP of -3.08, 14 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine;prop-2-enamide is sourced from PubChem (CID 170851960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).