butyl 2-(hexan-2-ylamino)acetate

C12H25NO2 — CID 62198750

IUPACbutyl 2-(hexan-2-ylamino)acetate
SMILESCCCCOC(=O)CNC(C)CCCC
InChIInChI=1S/C12H25NO2/c1-4-6-8-11(3)13-10-12(14)15-9-7-5-2/h11,13H,4-10H2,1-3H3
InChIKeyPSAWPSJZDXBUOJ-UHFFFAOYSA-N
MW215.34 g/mol
LogP2.50
Rot. Bonds9

About butyl 2-(hexan-2-ylamino)acetate

butyl 2-(hexan-2-ylamino)acetate (PubChem CID 62198750) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is butyl 2-(hexan-2-ylamino)acetate.

Molecular Properties

Compound Namebutyl 2-(hexan-2-ylamino)acetate
PubChem CID62198750
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Namebutyl 2-(hexan-2-ylamino)acetate
SMILESCCCCOC(=O)CNC(C)CCCC
InChIInChI=1S/C12H25NO2/c1-4-6-8-11(3)13-10-12(14)15-9-7-5-2/h11,13H,4-10H2,1-3H3
InChIKeyPSAWPSJZDXBUOJ-UHFFFAOYSA-N
XLogP2.50
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

butyl 2-[[1-(ethylamino)-1-oxopropan-2-yl]amino]acetate
CID 60681488
pentyl 2-(propan-2-ylamino)acetate
CID 61304310
butyl 2-(but-3-yn-2-ylamino)acetate
CID 114416491
butyl 2-[(1-hydroxy-3-methylbutan-2-yl)amino]acetate
CID 79248871
butyl 2-[[1-(tert-butylamino)-1-oxopropan-2-yl]amino]acetate
CID 113406977
3-methylbutyl 2-(butan-2-ylamino)acetate
CID 61278693
tert-butyl 2-(heptan-2-ylamino)acetate
CID 60680829
butyl 2-[(4-hydroxy-1-methoxybutan-2-yl)amino]acetate
CID 106159517
4-methylpentyl 2-(butoxycarbonylamino)acetate
CID 6422769
butyl 2-(methylamino)acetate;methane
CID 157477406
3-butoxy-3-oxopropanoic acid
CID 21201188
ethane;propyl 2-(propan-2-ylamino)acetate
CID 158517744

Frequently Asked Questions

What is the IUPAC name of butyl 2-(hexan-2-ylamino)acetate?
The IUPAC name of butyl 2-(hexan-2-ylamino)acetate (CID 62198750) is butyl 2-(hexan-2-ylamino)acetate.
What is the SMILES notation for butyl 2-(hexan-2-ylamino)acetate?
The canonical SMILES for butyl 2-(hexan-2-ylamino)acetate is CCCCOC(=O)CNC(C)CCCC.
What is the InChIKey of butyl 2-(hexan-2-ylamino)acetate?
The InChIKey is PSAWPSJZDXBUOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-4-6-8-11(3)13-10-12(14)15-9-7-5-2/h11,13H,4-10H2,1-3H3.
What are the key properties of butyl 2-(hexan-2-ylamino)acetate?
butyl 2-(hexan-2-ylamino)acetate has a molecular weight of 215.34 g/mol, XLogP of 2.50, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 2-(hexan-2-ylamino)acetate is sourced from PubChem (CID 62198750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).