6-(1-aminoethenylamino)-2-propan-2-ylhexanoic acid

C11H22N2O2 — CID 162021544

IUPAC6-(1-aminoethenylamino)-2-propan-2-ylhexanoic acid
SMILESC=C(N)NCCCCC(C(=O)O)C(C)C
InChIInChI=1S/C11H22N2O2/c1-8(2)10(11(14)15)6-4-5-7-13-9(3)12/h8,10,13H,3-7,12H2,1-2H3,(H,14,15)
InChIKeyHXSNQQLVUBTKAW-UHFFFAOYSA-N
MW214.31 g/mol
LogP1.53
Rot. Bonds8

About 6-(1-aminoethenylamino)-2-propan-2-ylhexanoic acid

6-(1-aminoethenylamino)-2-propan-2-ylhexanoic acid (PubChem CID 162021544) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 6-(1-aminoethenylamino)-2-propan-2-ylhexanoic acid.

Molecular Properties

Compound Name6-(1-aminoethenylamino)-2-propan-2-ylhexanoic acid
PubChem CID162021544
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name6-(1-aminoethenylamino)-2-propan-2-ylhexanoic acid
SMILESC=C(N)NCCCCC(C(=O)O)C(C)C
InChIInChI=1S/C11H22N2O2/c1-8(2)10(11(14)15)6-4-5-7-13-9(3)12/h8,10,13H,3-7,12H2,1-2H3,(H,14,15)
InChIKeyHXSNQQLVUBTKAW-UHFFFAOYSA-N
XLogP1.53
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 51.53
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 6-(1-aminoethenylamino)-2-propan-2-ylhexanoic acid?
The IUPAC name of 6-(1-aminoethenylamino)-2-propan-2-ylhexanoic acid (CID 162021544) is 6-(1-aminoethenylamino)-2-propan-2-ylhexanoic acid.
What is the SMILES notation for 6-(1-aminoethenylamino)-2-propan-2-ylhexanoic acid?
The canonical SMILES for 6-(1-aminoethenylamino)-2-propan-2-ylhexanoic acid is C=C(N)NCCCCC(C(=O)O)C(C)C.
What is the InChIKey of 6-(1-aminoethenylamino)-2-propan-2-ylhexanoic acid?
The InChIKey is HXSNQQLVUBTKAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-8(2)10(11(14)15)6-4-5-7-13-9(3)12/h8,10,13H,3-7,12H2,1-2H3,(H,14,15).
What are the key properties of 6-(1-aminoethenylamino)-2-propan-2-ylhexanoic acid?
6-(1-aminoethenylamino)-2-propan-2-ylhexanoic acid has a molecular weight of 214.31 g/mol, XLogP of 1.53, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-aminoethenylamino)-2-propan-2-ylhexanoic acid is sourced from PubChem (CID 162021544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).