2-iminoethyl 5-(dimethylamino)hexanoate

C10H20N2O2 — CID 174445049

IUPAC2-iminoethyl 5-(dimethylamino)hexanoate
SMILES[H]/N=C/COC(=O)CCCC(C)N(C)C
InChIInChI=1S/C10H20N2O2/c1-9(12(2)3)5-4-6-10(13)14-8-7-11/h7,9,11H,4-6,8H2,1-3H3/b11-7+
InChIKeyZJPDJHGHWPOFPB-YRNVUSSQSA-N
MW200.28 g/mol
LogP1.30
Rot. Bonds7

About 2-iminoethyl 5-(dimethylamino)hexanoate

2-iminoethyl 5-(dimethylamino)hexanoate (PubChem CID 174445049) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 2-iminoethyl 5-(dimethylamino)hexanoate.

Molecular Properties

Compound Name2-iminoethyl 5-(dimethylamino)hexanoate
PubChem CID174445049
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name2-iminoethyl 5-(dimethylamino)hexanoate
SMILES[H]/N=C/COC(=O)CCCC(C)N(C)C
InChIInChI=1S/C10H20N2O2/c1-9(12(2)3)5-4-6-10(13)14-8-7-11/h7,9,11H,4-6,8H2,1-3H3/b11-7+
InChIKeyZJPDJHGHWPOFPB-YRNVUSSQSA-N
XLogP1.30
TPSA53.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(6-imino-4-methylhexyl) butanoate
CID 175264209
diethyl 2-methylhexanedioate
CID 568427
2-(5,6-dihydroxynonanoyloxy)ethyl 5,6-dihydroxynonanoate
CID 135253417
4-(dimethylamino)pentyl prop-2-enoate
CID 159489055
4-(dimethylamino)pentyl-methylcarbamic acid
CID 23983768
2-(dimethylamino)pentadecyl tetradecanoate
CID 57435958
[3-decanoyloxy-2-(dimethylamino)propyl] decanoate
CID 145001259
ethyl 5-amino-5-bromopentanoate
CID 88722728
diethyl 3-methylheptanedioate
CID 121008602
bis[(E)-hex-2-enyl] pentanedioate
CID 91707138
prop-2-enyl pentadecanoate
CID 87531612
prop-2-enyl tridecanoate
CID 91752122

Frequently Asked Questions

What is the IUPAC name of 2-iminoethyl 5-(dimethylamino)hexanoate?
The IUPAC name of 2-iminoethyl 5-(dimethylamino)hexanoate (CID 174445049) is 2-iminoethyl 5-(dimethylamino)hexanoate.
What is the SMILES notation for 2-iminoethyl 5-(dimethylamino)hexanoate?
The canonical SMILES for 2-iminoethyl 5-(dimethylamino)hexanoate is [H]/N=C/COC(=O)CCCC(C)N(C)C.
What is the InChIKey of 2-iminoethyl 5-(dimethylamino)hexanoate?
The InChIKey is ZJPDJHGHWPOFPB-YRNVUSSQSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-9(12(2)3)5-4-6-10(13)14-8-7-11/h7,9,11H,4-6,8H2,1-3H3/b11-7+.
What are the key properties of 2-iminoethyl 5-(dimethylamino)hexanoate?
2-iminoethyl 5-(dimethylamino)hexanoate has a molecular weight of 200.28 g/mol, XLogP of 1.30, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iminoethyl 5-(dimethylamino)hexanoate is sourced from PubChem (CID 174445049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).