methyl 6-amino-3-(dimethylamino)hexanoate

C9H20N2O2 — CID 148654494

IUPACmethyl 6-amino-3-(dimethylamino)hexanoate
SMILESCOC(=O)CC(CCCN)N(C)C
InChIInChI=1S/C9H20N2O2/c1-11(2)8(5-4-6-10)7-9(12)13-3/h8H,4-7,10H2,1-3H3
InChIKeyNMNXCNHWWPAVLP-UHFFFAOYSA-N
MW188.27 g/mol
LogP0.22
Rot. Bonds6

About methyl 6-amino-3-(dimethylamino)hexanoate

methyl 6-amino-3-(dimethylamino)hexanoate (PubChem CID 148654494) has the molecular formula C9H20N2O2 and a molecular weight of 188.27 g/mol. Its IUPAC name is methyl 6-amino-3-(dimethylamino)hexanoate.

Molecular Properties

Compound Namemethyl 6-amino-3-(dimethylamino)hexanoate
PubChem CID148654494
Molecular FormulaC9H20N2O2
Molecular Weight188.27 g/mol
Exact Mass188.15
IUPAC Namemethyl 6-amino-3-(dimethylamino)hexanoate
SMILESCOC(=O)CC(CCCN)N(C)C
InChIInChI=1S/C9H20N2O2/c1-11(2)8(5-4-6-10)7-9(12)13-3/h8H,4-7,10H2,1-3H3
InChIKeyNMNXCNHWWPAVLP-UHFFFAOYSA-N
XLogP0.22
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

propyl 3-(dimethylamino)dodecanoate
CID 174840003
methyl 5-amino-3-hydroxypentanoate
CID 71369778
methyl (2S)-6-amino-2-(dimethylamino)hexanoate
CID 22894949
2-[(5-amino-1-methoxypentan-2-yl)-methylamino]acetamide
CID 103391695
4-N,4-N,6-trimethylheptane-1,4-diamine
CID 116905112
methyl (2S)-5-amino-2-methylpentanoate
CID 88555940
methyl 4-aminobutanoate;dihydrochloride
CID 170991800
ethane;methyl 2,5-diaminopentanoate
CID 142442335
[5-amino-2-(dimethylamino)pentyl]-trimethylazanium
CID 91479643
methyl 3-[4-aminobutyl(methyl)amino]propanoate
CID 63380446
methyl 4-(dimethylamino)heptanoate
CID 116910261
methyl 3,4-dimethylpentanoate
CID 554058

Frequently Asked Questions

What is the IUPAC name of methyl 6-amino-3-(dimethylamino)hexanoate?
The IUPAC name of methyl 6-amino-3-(dimethylamino)hexanoate (CID 148654494) is methyl 6-amino-3-(dimethylamino)hexanoate.
What is the SMILES notation for methyl 6-amino-3-(dimethylamino)hexanoate?
The canonical SMILES for methyl 6-amino-3-(dimethylamino)hexanoate is COC(=O)CC(CCCN)N(C)C.
What is the InChIKey of methyl 6-amino-3-(dimethylamino)hexanoate?
The InChIKey is NMNXCNHWWPAVLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2/c1-11(2)8(5-4-6-10)7-9(12)13-3/h8H,4-7,10H2,1-3H3.
What are the key properties of methyl 6-amino-3-(dimethylamino)hexanoate?
methyl 6-amino-3-(dimethylamino)hexanoate has a molecular weight of 188.27 g/mol, XLogP of 0.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-amino-3-(dimethylamino)hexanoate is sourced from PubChem (CID 148654494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).