(2-aminoethylamino) 2-ethylhexanoate

C10H22N2O2 — CID 87853301

IUPAC(2-aminoethylamino) 2-ethylhexanoate
SMILESCCCCC(CC)C(=O)ONCCN
InChIInChI=1S/C10H22N2O2/c1-3-5-6-9(4-2)10(13)14-12-8-7-11/h9,12H,3-8,11H2,1-2H3
InChIKeyOBYLWBKVQSKPLF-UHFFFAOYSA-N
MW202.30 g/mol
LogP1.21
Rot. Bonds8

About (2-aminoethylamino) 2-ethylhexanoate

(2-aminoethylamino) 2-ethylhexanoate (PubChem CID 87853301) has the molecular formula C10H22N2O2 and a molecular weight of 202.30 g/mol. Its IUPAC name is (2-aminoethylamino) 2-ethylhexanoate.

Molecular Properties

Compound Name(2-aminoethylamino) 2-ethylhexanoate
PubChem CID87853301
Molecular FormulaC10H22N2O2
Molecular Weight202.30 g/mol
Exact Mass202.17
IUPAC Name(2-aminoethylamino) 2-ethylhexanoate
SMILESCCCCC(CC)C(=O)ONCCN
InChIInChI=1S/C10H22N2O2/c1-3-5-6-9(4-2)10(13)14-12-8-7-11/h9,12H,3-8,11H2,1-2H3
InChIKeyOBYLWBKVQSKPLF-UHFFFAOYSA-N
XLogP1.21
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[2-(2-aminoethylamino)ethylamino] 2-octyldecanoate
CID 174853897
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethylhexanoyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-ethylhexanoate
CID 139595108
2-[2-[(2R)-2-ethylhexanoyl]oxyethoxy]ethyl (2S)-2-ethylhexanoate
CID 92855750
carbonic acid;ethyl 2-ethylhexanoate
CID 175024500
trimethylplumbyl 2-ethylhexanoate
CID 16683317
3-[(2S)-2-ethylhexanoyl]oxypropyl (2R)-2-ethylhexanoate
CID 125473302
1-hydroxyethyl 2-ethylhexanoate
CID 22112693
CID 16684285
CID 16684285
butyl 2-ethylhexanoate;λ2-stannane
CID 174507842
pentan-3-yl 2-ethylhexanoate
CID 22213614
(2-methoxy-2-oxoethyl) 2-ethylhexanoate
CID 13468591
(2-aminoethylamino) octadecanoate
CID 87496709

Frequently Asked Questions

What is the IUPAC name of (2-aminoethylamino) 2-ethylhexanoate?
The IUPAC name of (2-aminoethylamino) 2-ethylhexanoate (CID 87853301) is (2-aminoethylamino) 2-ethylhexanoate.
What is the SMILES notation for (2-aminoethylamino) 2-ethylhexanoate?
The canonical SMILES for (2-aminoethylamino) 2-ethylhexanoate is CCCCC(CC)C(=O)ONCCN.
What is the InChIKey of (2-aminoethylamino) 2-ethylhexanoate?
The InChIKey is OBYLWBKVQSKPLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2/c1-3-5-6-9(4-2)10(13)14-12-8-7-11/h9,12H,3-8,11H2,1-2H3.
What are the key properties of (2-aminoethylamino) 2-ethylhexanoate?
(2-aminoethylamino) 2-ethylhexanoate has a molecular weight of 202.30 g/mol, XLogP of 1.21, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-aminoethylamino) 2-ethylhexanoate is sourced from PubChem (CID 87853301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).