methyl 3-(dihexylamino)propanoate

C16H33NO2 — CID 11032971

IUPACmethyl 3-(dihexylamino)propanoate
SMILESCCCCCCN(CCCCCC)CCC(=O)OC
InChIInChI=1S/C16H33NO2/c1-4-6-8-10-13-17(14-11-9-7-5-2)15-12-16(18)19-3/h4-15H2,1-3H3
InChIKeyHBJBMQUMMMTASV-UHFFFAOYSA-N
MW271.44 g/mol
LogP4.01
Rot. Bonds13

About methyl 3-(dihexylamino)propanoate

methyl 3-(dihexylamino)propanoate (PubChem CID 11032971) has the molecular formula C16H33NO2 and a molecular weight of 271.44 g/mol. Its IUPAC name is methyl 3-(dihexylamino)propanoate.

Molecular Properties

Compound Namemethyl 3-(dihexylamino)propanoate
PubChem CID11032971
Molecular FormulaC16H33NO2
Molecular Weight271.44 g/mol
Exact Mass271.25
IUPAC Namemethyl 3-(dihexylamino)propanoate
SMILESCCCCCCN(CCCCCC)CCC(=O)OC
InChIInChI=1S/C16H33NO2/c1-4-6-8-10-13-17(14-11-9-7-5-2)15-12-16(18)19-3/h4-15H2,1-3H3
InChIKeyHBJBMQUMMMTASV-UHFFFAOYSA-N
XLogP4.01
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.44
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-(dihexylamino)butanoate
CID 142540666
ethyl 3-[dodecyl-(3-ethoxy-3-oxopropyl)amino]propanoate
CID 11406516
methyl 12-bromododecanoate;methyl 12-[dodecyl(2-hydroxyethyl)amino]dodecanoate
CID 130236666
3-[di(pentadecyl)amino]propanoic acid
CID 101313726
3-(dioctadecylamino)propanoic acid
CID 101313756
3-[(3-ethoxy-3-oxopropyl)-hexylamino]propanoic acid
CID 140535457
methyl 6-[3-aminopropyl(butyl)amino]hexanoate
CID 89208280
methyl 3-[2-[2-[bis(3-methoxy-3-oxopropyl)amino]ethyl-(3-methoxy-3-oxopropyl)amino]ethyl-(3-methoxy-3-oxopropyl)amino]propanoate
CID 59280841
methyl 3-[2-[2-[2-[2-[bis(3-oxo-3-tridecoxypropyl)amino]ethyl-ethylamino]ethyl-ethylamino]ethyl-ethylamino]ethyl-(3-oxo-3-tridecoxypropyl)amino]propanoate
CID 90207758
methyl 3-[2-[2-[bis(3-dodecoxy-3-oxopropyl)amino]ethyl-methylamino]ethyl-(3-dodecoxy-3-oxopropyl)amino]propanoate;methyl 3-[2-[2-[bis(3-oxo-3-tridecoxypropyl)amino]ethyl-methylamino]ethyl-(3-oxo-3-tridecoxypropyl)amino]propanoate
CID 159593624
methyl 3-[2-[2-[2-[bis(3-methoxy-3-oxopropyl)amino]ethyl-pentylamino]ethyl-methylamino]ethylamino]propanoate
CID 90207729
methyl heptanoate
CID 7826

Frequently Asked Questions

What is the IUPAC name of methyl 3-(dihexylamino)propanoate?
The IUPAC name of methyl 3-(dihexylamino)propanoate (CID 11032971) is methyl 3-(dihexylamino)propanoate.
What is the SMILES notation for methyl 3-(dihexylamino)propanoate?
The canonical SMILES for methyl 3-(dihexylamino)propanoate is CCCCCCN(CCCCCC)CCC(=O)OC.
What is the InChIKey of methyl 3-(dihexylamino)propanoate?
The InChIKey is HBJBMQUMMMTASV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO2/c1-4-6-8-10-13-17(14-11-9-7-5-2)15-12-16(18)19-3/h4-15H2,1-3H3.
What are the key properties of methyl 3-(dihexylamino)propanoate?
methyl 3-(dihexylamino)propanoate has a molecular weight of 271.44 g/mol, XLogP of 4.01, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(dihexylamino)propanoate is sourced from PubChem (CID 11032971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).