methyl (2S)-2-(dimethylamino)-2-methylnon-8-enoate

C13H25NO2 — CID 58307948

IUPACmethyl (2S)-2-(dimethylamino)-2-methylnon-8-enoate
SMILESC=CCCCCC[C@@](C)(C(=O)OC)N(C)C
InChIInChI=1S/C13H25NO2/c1-6-7-8-9-10-11-13(2,14(3)4)12(15)16-5/h6H,1,7-11H2,2-5H3/t13-/m0/s1
InChIKeyIEZOYNQTCCYUEA-ZDUSSCGKSA-N
MW227.35 g/mol
LogP2.62
Rot. Bonds8

About methyl (2S)-2-(dimethylamino)-2-methylnon-8-enoate

methyl (2S)-2-(dimethylamino)-2-methylnon-8-enoate (PubChem CID 58307948) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is methyl (2S)-2-(dimethylamino)-2-methylnon-8-enoate.

Molecular Properties

Compound Namemethyl (2S)-2-(dimethylamino)-2-methylnon-8-enoate
PubChem CID58307948
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Namemethyl (2S)-2-(dimethylamino)-2-methylnon-8-enoate
SMILESC=CCCCCC[C@@](C)(C(=O)OC)N(C)C
InChIInChI=1S/C13H25NO2/c1-6-7-8-9-10-11-13(2,14(3)4)12(15)16-5/h6H,1,7-11H2,2-5H3/t13-/m0/s1
InChIKeyIEZOYNQTCCYUEA-ZDUSSCGKSA-N
XLogP2.62
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-fluoro-2-methylnon-8-enoate
CID 146260741
2-methoxycarbonyl-2-methylnon-8-enoic acid
CID 107010769
(2R)-2-methyl-2-(methylamino)dec-9-enoic acid
CID 131871099
methyl 2-(hex-5-enylamino)-2-methylpropanoate
CID 151175914
3-(dimethylamino)-3-hex-5-enylnon-8-en-2-one
CID 122674374
(2S)-2-methyl-2-(methylamino)oct-7-enoic acid
CID 163656905
2-bromo-2-methyltetradec-13-enoic acid
CID 87350164
ethyl 2-ethenyl-2-methylnon-8-enoate
CID 107007961
methyl propanoate;undec-10-enyl 2-bromo-2-methyltetradec-13-enoate
CID 174552627
2-amino-2-methyldec-9-enoic acid
CID 76833646
methyl 2-amino-2-(4-fluorophenyl)non-8-enoate
CID 66915424
methyl (2E)-octadeca-2,17-dienoate
CID 11781391

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-(dimethylamino)-2-methylnon-8-enoate?
The IUPAC name of methyl (2S)-2-(dimethylamino)-2-methylnon-8-enoate (CID 58307948) is methyl (2S)-2-(dimethylamino)-2-methylnon-8-enoate.
What is the SMILES notation for methyl (2S)-2-(dimethylamino)-2-methylnon-8-enoate?
The canonical SMILES for methyl (2S)-2-(dimethylamino)-2-methylnon-8-enoate is C=CCCCCC[C@@](C)(C(=O)OC)N(C)C.
What is the InChIKey of methyl (2S)-2-(dimethylamino)-2-methylnon-8-enoate?
The InChIKey is IEZOYNQTCCYUEA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H25NO2/c1-6-7-8-9-10-11-13(2,14(3)4)12(15)16-5/h6H,1,7-11H2,2-5H3/t13-/m0/s1.
What are the key properties of methyl (2S)-2-(dimethylamino)-2-methylnon-8-enoate?
methyl (2S)-2-(dimethylamino)-2-methylnon-8-enoate has a molecular weight of 227.35 g/mol, XLogP of 2.62, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-(dimethylamino)-2-methylnon-8-enoate is sourced from PubChem (CID 58307948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).