methyl 5,5,7-trimethyloctanimidate

C12H25NO — CID 89271978

IUPACmethyl 5,5,7-trimethyloctanimidate
SMILES[H]/N=C(/CCCC(C)(C)CC(C)C)OC
InChIInChI=1S/C12H25NO/c1-10(2)9-12(3,4)8-6-7-11(13)14-5/h10,13H,6-9H2,1-5H3/b13-11-
InChIKeyXQBMOBOZZDMADS-QBFSEMIESA-N
MW199.34 g/mol
LogP3.85
Rot. Bonds6

About methyl 5,5,7-trimethyloctanimidate

methyl 5,5,7-trimethyloctanimidate (PubChem CID 89271978) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is methyl 5,5,7-trimethyloctanimidate.

Molecular Properties

Compound Namemethyl 5,5,7-trimethyloctanimidate
PubChem CID89271978
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Namemethyl 5,5,7-trimethyloctanimidate
SMILES[H]/N=C(/CCCC(C)(C)CC(C)C)OC
InChIInChI=1S/C12H25NO/c1-10(2)9-12(3,4)8-6-7-11(13)14-5/h10,13H,6-9H2,1-5H3/b13-11-
InChIKeyXQBMOBOZZDMADS-QBFSEMIESA-N
XLogP3.85
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze methyl 5,5,7-trimethyloctanimidate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

trans-ethyl (1S,2S)-2-methyl-2,3-di(propan-2-yl)cyclopentane-1-carboximidate
CID 90180893
6-Methyl-6-propan-2-yloxepan-2-imine
CID 90976816
Methyl 7-methyl-2-(3-methylhexyl)decanimidate
CID 126737262
Methyl 2,6-dimethyloctanimidate
CID 132024038
Methyl 2,5-dimethyloctanimidate
CID 134513318
Ethyl 3,6-dimethylheptanimidate
CID 137435687
Dimethyl 3,3,5,5-tetramethylheptanediimidate
CID 156032710
7-Methoxy-2,2,4-trimethylheptan-3-imine
CID 174691411
Methyl 4,4-dimethylcyclohexane-1-carboximidate
CID 65392442
Ethyl 4,4-dimethylcyclohexane-1-carboximidate
CID 65392443
Methyl 4-ethylcyclohexane-1-carboximidate
CID 65393332
Ethyl 4-ethylcyclohexane-1-carboximidate
CID 65393333

Frequently Asked Questions

What is the IUPAC name of methyl 5,5,7-trimethyloctanimidate?
The IUPAC name of methyl 5,5,7-trimethyloctanimidate (CID 89271978) is methyl 5,5,7-trimethyloctanimidate.
What is the SMILES notation for methyl 5,5,7-trimethyloctanimidate?
The canonical SMILES for methyl 5,5,7-trimethyloctanimidate is [H]/N=C(/CCCC(C)(C)CC(C)C)OC.
What is the InChIKey of methyl 5,5,7-trimethyloctanimidate?
The InChIKey is XQBMOBOZZDMADS-QBFSEMIESA-N. The full InChI is InChI=1S/C12H25NO/c1-10(2)9-12(3,4)8-6-7-11(13)14-5/h10,13H,6-9H2,1-5H3/b13-11-.
What are the key properties of methyl 5,5,7-trimethyloctanimidate?
methyl 5,5,7-trimethyloctanimidate has a molecular weight of 199.34 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5,5,7-trimethyloctanimidate is sourced from PubChem (CID 89271978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).