(4-amino-2-methylbutan-2-yl) hexanoate

C11H23NO2 — CID 175123219

IUPAC(4-amino-2-methylbutan-2-yl) hexanoate
SMILESCCCCCC(=O)OC(C)(C)CCN
InChIInChI=1S/C11H23NO2/c1-4-5-6-7-10(13)14-11(2,3)8-9-12/h4-9,12H2,1-3H3
InChIKeyIPLAUCZDUZWNLL-UHFFFAOYSA-N
MW201.31 g/mol
LogP2.24
Rot. Bonds7

About (4-amino-2-methylbutan-2-yl) hexanoate

(4-amino-2-methylbutan-2-yl) hexanoate (PubChem CID 175123219) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is (4-amino-2-methylbutan-2-yl) hexanoate.

Molecular Properties

Compound Name(4-amino-2-methylbutan-2-yl) hexanoate
PubChem CID175123219
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name(4-amino-2-methylbutan-2-yl) hexanoate
SMILESCCCCCC(=O)OC(C)(C)CCN
InChIInChI=1S/C11H23NO2/c1-4-5-6-7-10(13)14-11(2,3)8-9-12/h4-9,12H2,1-3H3
InChIKeyIPLAUCZDUZWNLL-UHFFFAOYSA-N
XLogP2.24
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 52.24
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

2-methyloctan-2-yl 3-hydroxypropanoate
CID 134395948
5-(2-methylhexan-2-yloxy)-5-oxopentanoic acid
CID 174159851
(3-methyl-3-propanoyloxybutyl) hexanoate
CID 90907036
CID 173393841
CID 173393841
6-methyldodecan-6-yl 4-aminobutanoate
CID 174355900
bis(17-pentyltritriacontan-17-yl) hexanedioate
CID 90428517
1,1-diaminoethyl octadecanoate
CID 18692830
tert-butyl octacosanoate
CID 174872722
9-methylnonadecan-9-yl octadecanoate
CID 87086259
2-methylbutan-2-yl 7-amino-7-methyloctanoate
CID 163421014
3-aminohexan-3-yl octanoate
CID 175053383
tert-butyl dodecanoate;hydrate
CID 159574999

Frequently Asked Questions

What is the IUPAC name of (4-amino-2-methylbutan-2-yl) hexanoate?
The IUPAC name of (4-amino-2-methylbutan-2-yl) hexanoate (CID 175123219) is (4-amino-2-methylbutan-2-yl) hexanoate.
What is the SMILES notation for (4-amino-2-methylbutan-2-yl) hexanoate?
The canonical SMILES for (4-amino-2-methylbutan-2-yl) hexanoate is CCCCCC(=O)OC(C)(C)CCN.
What is the InChIKey of (4-amino-2-methylbutan-2-yl) hexanoate?
The InChIKey is IPLAUCZDUZWNLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-4-5-6-7-10(13)14-11(2,3)8-9-12/h4-9,12H2,1-3H3.
What are the key properties of (4-amino-2-methylbutan-2-yl) hexanoate?
(4-amino-2-methylbutan-2-yl) hexanoate has a molecular weight of 201.31 g/mol, XLogP of 2.24, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-2-methylbutan-2-yl) hexanoate is sourced from PubChem (CID 175123219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).