N-[2-(2-aminoethylamino)ethyl]-2-ethylhexanamide

C12H27N3O — CID 15897028

IUPACN-[2-(2-aminoethylamino)ethyl]-2-ethylhexanamide
SMILESCCCCC(CC)C(=O)NCCNCCN
InChIInChI=1S/C12H27N3O/c1-3-5-6-11(4-2)12(16)15-10-9-14-8-7-13/h11,14H,3-10,13H2,1-2H3,(H,15,16)
InChIKeyCZYKANGXKCKMKD-UHFFFAOYSA-N
MW229.37 g/mol
LogP0.87
Rot. Bonds10

About N-[2-(2-aminoethylamino)ethyl]-2-ethylhexanamide

N-[2-(2-aminoethylamino)ethyl]-2-ethylhexanamide (PubChem CID 15897028) has the molecular formula C12H27N3O and a molecular weight of 229.37 g/mol. Its IUPAC name is N-[2-(2-aminoethylamino)ethyl]-2-ethylhexanamide.

Molecular Properties

Compound NameN-[2-(2-aminoethylamino)ethyl]-2-ethylhexanamide
PubChem CID15897028
Molecular FormulaC12H27N3O
Molecular Weight229.37 g/mol
Exact Mass229.22
IUPAC NameN-[2-(2-aminoethylamino)ethyl]-2-ethylhexanamide
SMILESCCCCC(CC)C(=O)NCCNCCN
InChIInChI=1S/C12H27N3O/c1-3-5-6-11(4-2)12(16)15-10-9-14-8-7-13/h11,14H,3-10,13H2,1-2H3,(H,15,16)
InChIKeyCZYKANGXKCKMKD-UHFFFAOYSA-N
XLogP0.87
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-aminoethylamino)ethyl]-2-ethylhexanamide?
The IUPAC name of N-[2-(2-aminoethylamino)ethyl]-2-ethylhexanamide (CID 15897028) is N-[2-(2-aminoethylamino)ethyl]-2-ethylhexanamide.
What is the SMILES notation for N-[2-(2-aminoethylamino)ethyl]-2-ethylhexanamide?
The canonical SMILES for N-[2-(2-aminoethylamino)ethyl]-2-ethylhexanamide is CCCCC(CC)C(=O)NCCNCCN.
What is the InChIKey of N-[2-(2-aminoethylamino)ethyl]-2-ethylhexanamide?
The InChIKey is CZYKANGXKCKMKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O/c1-3-5-6-11(4-2)12(16)15-10-9-14-8-7-13/h11,14H,3-10,13H2,1-2H3,(H,15,16).
What are the key properties of N-[2-(2-aminoethylamino)ethyl]-2-ethylhexanamide?
N-[2-(2-aminoethylamino)ethyl]-2-ethylhexanamide has a molecular weight of 229.37 g/mol, XLogP of 0.87, 10 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]-2-ethylhexanamide is sourced from PubChem (CID 15897028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).