ethyl 4-amino-5-methyl-2-methyliminohexanoate

C10H20N2O2 — CID 90906921

IUPACethyl 4-amino-5-methyl-2-methyliminohexanoate
SMILESCCOC(=O)/C(CC(N)C(C)C)=N\C
InChIInChI=1S/C10H20N2O2/c1-5-14-10(13)9(12-4)6-8(11)7(2)3/h7-8H,5-6,11H2,1-4H3/b12-9-
InChIKeyGJVYXYYNMCLYAL-XFXZXTDPSA-N
MW200.28 g/mol
LogP0.99
Rot. Bonds5

About ethyl 4-amino-5-methyl-2-methyliminohexanoate

ethyl 4-amino-5-methyl-2-methyliminohexanoate (PubChem CID 90906921) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is ethyl 4-amino-5-methyl-2-methyliminohexanoate.

Molecular Properties

Compound Nameethyl 4-amino-5-methyl-2-methyliminohexanoate
PubChem CID90906921
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Nameethyl 4-amino-5-methyl-2-methyliminohexanoate
SMILESCCOC(=O)/C(CC(N)C(C)C)=N\C
InChIInChI=1S/C10H20N2O2/c1-5-14-10(13)9(12-4)6-8(11)7(2)3/h7-8H,5-6,11H2,1-4H3/b12-9-
InChIKeyGJVYXYYNMCLYAL-XFXZXTDPSA-N
XLogP0.99
TPSA64.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.99
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

Ethyl 2-imino-2-(4-propan-2-yliminopiperidin-3-yl)acetate
CID 123286649
Ethyl 5-methyl-3-propan-2-yliminohexanoate
CID 123410205
ethyl (4S)-2-diazo-3,5-dimethyl-4-(methylamino)hexanoate
CID 135975983
Ethyl 4-amino-2,5-dimethylhexanoate
CID 144788111
Butyl 3-(aminomethyl)-2-iminopentanoate
CID 174688510
Ethyl 4-amino-5-methylhexanoate
CID 21600117
(R)-4-Amino-5-methylhexanoic acid ethyl ester
CID 101180409
ethyl (4S)-4-amino-5-methylhexanoate
CID 155920881

Frequently Asked Questions

What is the IUPAC name of ethyl 4-amino-5-methyl-2-methyliminohexanoate?
The IUPAC name of ethyl 4-amino-5-methyl-2-methyliminohexanoate (CID 90906921) is ethyl 4-amino-5-methyl-2-methyliminohexanoate.
What is the SMILES notation for ethyl 4-amino-5-methyl-2-methyliminohexanoate?
The canonical SMILES for ethyl 4-amino-5-methyl-2-methyliminohexanoate is CCOC(=O)/C(CC(N)C(C)C)=N\C.
What is the InChIKey of ethyl 4-amino-5-methyl-2-methyliminohexanoate?
The InChIKey is GJVYXYYNMCLYAL-XFXZXTDPSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-5-14-10(13)9(12-4)6-8(11)7(2)3/h7-8H,5-6,11H2,1-4H3/b12-9-.
What are the key properties of ethyl 4-amino-5-methyl-2-methyliminohexanoate?
ethyl 4-amino-5-methyl-2-methyliminohexanoate has a molecular weight of 200.28 g/mol, XLogP of 0.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-amino-5-methyl-2-methyliminohexanoate is sourced from PubChem (CID 90906921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).