butyl 6-(methylamino)hexanoate

C11H23NO2 — CID 14437323

IUPACbutyl 6-(methylamino)hexanoate
SMILESCCCCOC(=O)CCCCCNC
InChIInChI=1S/C11H23NO2/c1-3-4-10-14-11(13)8-6-5-7-9-12-2/h12H,3-10H2,1-2H3
InChIKeyVJJDHDCRWDHLHU-UHFFFAOYSA-N
MW201.31 g/mol
LogP2.11
Rot. Bonds9

About butyl 6-(methylamino)hexanoate

butyl 6-(methylamino)hexanoate (PubChem CID 14437323) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is butyl 6-(methylamino)hexanoate.

Molecular Properties

Compound Namebutyl 6-(methylamino)hexanoate
PubChem CID14437323
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Namebutyl 6-(methylamino)hexanoate
SMILESCCCCOC(=O)CCCCCNC
InChIInChI=1S/C11H23NO2/c1-3-4-10-14-11(13)8-6-5-7-9-12-2/h12H,3-10H2,1-2H3
InChIKeyVJJDHDCRWDHLHU-UHFFFAOYSA-N
XLogP2.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 52.11
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

ethane;nonyl 8-(methylamino)octanoate;propane
CID 168985464
dibutyl heptadecanedioate
CID 87117348
butyl dodecanoate;stannane
CID 173127459
butyl nonadecanoate
CID 3015296
butyl octadecanoate;stannane
CID 173304092
butyl pentacosanoate
CID 54548273
10-O-butyl 1-O-methyl decanedioate
CID 22057000
1-O-butyl 7-O-dodecyl heptanedioate
CID 91732656
butyl octadecanoate;octyl hexadecanoate
CID 175006742
1-O-butyl 6-O-decyl hexanedioate
CID 3018277
1-O-butyl 7-O-nonyl heptanedioate
CID 91732654
dodecyl tridecanoate;N-octyloctan-1-amine
CID 88604290

Frequently Asked Questions

What is the IUPAC name of butyl 6-(methylamino)hexanoate?
The IUPAC name of butyl 6-(methylamino)hexanoate (CID 14437323) is butyl 6-(methylamino)hexanoate.
What is the SMILES notation for butyl 6-(methylamino)hexanoate?
The canonical SMILES for butyl 6-(methylamino)hexanoate is CCCCOC(=O)CCCCCNC.
What is the InChIKey of butyl 6-(methylamino)hexanoate?
The InChIKey is VJJDHDCRWDHLHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-3-4-10-14-11(13)8-6-5-7-9-12-2/h12H,3-10H2,1-2H3.
What are the key properties of butyl 6-(methylamino)hexanoate?
butyl 6-(methylamino)hexanoate has a molecular weight of 201.31 g/mol, XLogP of 2.11, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 6-(methylamino)hexanoate is sourced from PubChem (CID 14437323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).