methyl 8-imino-8-methoxyoctanoate;hydrochloride

C10H20ClNO3 — CID 87545938

IUPACmethyl 8-imino-8-methoxyoctanoate;hydrochloride
SMILESCl.[H]/N=C(/CCCCCCC(=O)OC)OC
InChIInChI=1S/C10H19NO3.ClH/c1-13-9(11)7-5-3-4-6-8-10(12)14-2;/h11H,3-8H2,1-2H3;1H/b11-9-;
InChIKeyPDSXKKJVMHVHPI-KSIDEHCFSA-N
MW237.73 g/mol
LogP2.55
Rot. Bonds7

About methyl 8-imino-8-methoxyoctanoate;hydrochloride

methyl 8-imino-8-methoxyoctanoate;hydrochloride (PubChem CID 87545938) has the molecular formula C10H20ClNO3 and a molecular weight of 237.73 g/mol. Its IUPAC name is methyl 8-imino-8-methoxyoctanoate;hydrochloride.

Molecular Properties

Compound Namemethyl 8-imino-8-methoxyoctanoate;hydrochloride
PubChem CID87545938
Molecular FormulaC10H20ClNO3
Molecular Weight237.73 g/mol
Exact Mass237.11
IUPAC Namemethyl 8-imino-8-methoxyoctanoate;hydrochloride
SMILESCl.[H]/N=C(/CCCCCCC(=O)OC)OC
InChIInChI=1S/C10H19NO3.ClH/c1-13-9(11)7-5-3-4-6-8-10(12)14-2;/h11H,3-8H2,1-2H3;1H/b11-9-;
InChIKeyPDSXKKJVMHVHPI-KSIDEHCFSA-N
XLogP2.55
TPSA59.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.73
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

bis(dimethyl decanedioate);dimethyl hexanedioate
CID 90703426
dimethyl dotriacontanedioate
CID 14325565
dimethyl tricosanedioate
CID 12632762
dimethyl pentanedioate;hydrochloride
CID 175168861
dimethyl hexanedioate;λ2-stannane
CID 173290075
dimethyl hexanedioate;stannane
CID 173290076
8-methoxy-8-oxooctanoic acid;hydrochloride
CID 87214836
methyl nonanoate;hydrochloride
CID 141151355
methyl heptanoate;dihydrochloride
CID 140971064
dimethyl 9-oxooctadecanedioate
CID 544455
dimethyl hexanedioate;molecular hydrogen
CID 173272620
methyl 11-aminoundecanoate;hydrochloride
CID 12720706

Frequently Asked Questions

What is the IUPAC name of methyl 8-imino-8-methoxyoctanoate;hydrochloride?
The IUPAC name of methyl 8-imino-8-methoxyoctanoate;hydrochloride (CID 87545938) is methyl 8-imino-8-methoxyoctanoate;hydrochloride.
What is the SMILES notation for methyl 8-imino-8-methoxyoctanoate;hydrochloride?
The canonical SMILES for methyl 8-imino-8-methoxyoctanoate;hydrochloride is Cl.[H]/N=C(/CCCCCCC(=O)OC)OC.
What is the InChIKey of methyl 8-imino-8-methoxyoctanoate;hydrochloride?
The InChIKey is PDSXKKJVMHVHPI-KSIDEHCFSA-N. The full InChI is InChI=1S/C10H19NO3.ClH/c1-13-9(11)7-5-3-4-6-8-10(12)14-2;/h11H,3-8H2,1-2H3;1H/b11-9-;.
What are the key properties of methyl 8-imino-8-methoxyoctanoate;hydrochloride?
methyl 8-imino-8-methoxyoctanoate;hydrochloride has a molecular weight of 237.73 g/mol, XLogP of 2.55, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8-imino-8-methoxyoctanoate;hydrochloride is sourced from PubChem (CID 87545938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).