methyl 9-hydroxy-8-iminononanimidate

C10H20N2O2 — CID 58301387

IUPACmethyl 9-hydroxy-8-iminononanimidate
SMILES[H]/N=C(\CO)CCCCCC/C(=N/[H])OC
InChIInChI=1S/C10H20N2O2/c1-14-10(12)7-5-3-2-4-6-9(11)8-13/h11-13H,2-8H2,1H3/b11-9-,12-10-
InChIKeyPQYASAVRZVARSU-HWAYABPNSA-N
MW200.28 g/mol
LogP1.96
Rot. Bonds8

About methyl 9-hydroxy-8-iminononanimidate

methyl 9-hydroxy-8-iminononanimidate (PubChem CID 58301387) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is methyl 9-hydroxy-8-iminononanimidate.

Molecular Properties

Compound Namemethyl 9-hydroxy-8-iminononanimidate
PubChem CID58301387
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Namemethyl 9-hydroxy-8-iminononanimidate
SMILES[H]/N=C(\CO)CCCCCC/C(=N/[H])OC
InChIInChI=1S/C10H20N2O2/c1-14-10(12)7-5-3-2-4-6-9(11)8-13/h11-13H,2-8H2,1H3/b11-9-,12-10-
InChIKeyPQYASAVRZVARSU-HWAYABPNSA-N
XLogP1.96
TPSA77.16 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.96
H-Bond Donors ≤ 53
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

4-(Hydroxyhydrazinylidene)octan-1-ol
CID 53698584
Ethylenebis(2-iminobutanol)
CID 129868085
6-Iminooctan-1-ol
CID 54459280
3-Iminoicosan-1-ol
CID 57124118
3-Iminooctan-1-ol
CID 57224710
3-Iminododecan-1-ol
CID 57239624
(9-Azaniumylidene-1-hydroxy-9-methoxynonan-2-ylidene)azanium
CID 58301386
[8-(Amino-lambda3-chloranylidene)-9-hydroxy-1-methoxynonylidene]azanium
CID 58332318
[7-(Amino-lambda3-chloranylidene)-8-hydroxy-1-methoxyoctylidene]azanium
CID 58332322
(8-Azaniumylidene-9-hydroxy-1-methoxynonylidene)azanide
CID 58363670
1-Methoxyoctan-2-imine
CID 87831006
Methyl 6-hydroxy-5-iminohexanimidate
CID 88554259

Frequently Asked Questions

What is the IUPAC name of methyl 9-hydroxy-8-iminononanimidate?
The IUPAC name of methyl 9-hydroxy-8-iminononanimidate (CID 58301387) is methyl 9-hydroxy-8-iminononanimidate.
What is the SMILES notation for methyl 9-hydroxy-8-iminononanimidate?
The canonical SMILES for methyl 9-hydroxy-8-iminononanimidate is [H]/N=C(\CO)CCCCCC/C(=N/[H])OC.
What is the InChIKey of methyl 9-hydroxy-8-iminononanimidate?
The InChIKey is PQYASAVRZVARSU-HWAYABPNSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-14-10(12)7-5-3-2-4-6-9(11)8-13/h11-13H,2-8H2,1H3/b11-9-,12-10-.
What are the key properties of methyl 9-hydroxy-8-iminononanimidate?
methyl 9-hydroxy-8-iminononanimidate has a molecular weight of 200.28 g/mol, XLogP of 1.96, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 9-hydroxy-8-iminononanimidate is sourced from PubChem (CID 58301387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).