dimethyl 2,2-dimethylhexanediimidate

C10H20N2O2 — CID 175029785

IUPACdimethyl 2,2-dimethylhexanediimidate
SMILES[H]/N=C(/CCCC(C)(C)/C(=N/[H])OC)OC
InChIInChI=1S/C10H20N2O2/c1-10(2,9(12)14-4)7-5-6-8(11)13-3/h11-12H,5-7H2,1-4H3/b11-8-,12-9-
InChIKeyLQCQBGQMRDCRQW-QAHSQZNUSA-N
MW200.28 g/mol
LogP2.43
Rot. Bonds5

About dimethyl 2,2-dimethylhexanediimidate

dimethyl 2,2-dimethylhexanediimidate (PubChem CID 175029785) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is dimethyl 2,2-dimethylhexanediimidate.

Molecular Properties

Compound Namedimethyl 2,2-dimethylhexanediimidate
PubChem CID175029785
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Namedimethyl 2,2-dimethylhexanediimidate
SMILES[H]/N=C(/CCCC(C)(C)/C(=N/[H])OC)OC
InChIInChI=1S/C10H20N2O2/c1-10(2,9(12)14-4)7-5-6-8(11)13-3/h11-12H,5-7H2,1-4H3/b11-8-,12-9-
InChIKeyLQCQBGQMRDCRQW-QAHSQZNUSA-N
XLogP2.43
TPSA66.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-[(3-imino-3-methoxypropyl)disulfanyl]-2,2-dimethylpropanimidate;dihydrochloride
CID 141201230
methyl 3-(3-imino-3-methoxypropoxy)propanimidate
CID 23435000
methyl 8-imino-8-methoxyoctanoate;hydrochloride
CID 87545938
methyl 3-bromopropanimidate;hydrochloride
CID 141462308
methyl 2-chloro-2-methylbutanimidate
CID 118057274
methyl 4-(2,4,5-trimethylphenyl)butanimidate
CID 95443466
methyl 4-methylhexanimidate
CID 57248628
methyl 4-(4-propan-2-ylphenyl)butanimidate
CID 95443204
methyl 4-(1-methylpyrrol-3-yl)butanimidate
CID 95435900
dimethyl 2,2-dimethylhexanedioate
CID 28400
methyl 3-(4-ethylphenyl)propanimidate
CID 95436765
methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]ethanimidate
CID 89216603

Frequently Asked Questions

What is the IUPAC name of dimethyl 2,2-dimethylhexanediimidate?
The IUPAC name of dimethyl 2,2-dimethylhexanediimidate (CID 175029785) is dimethyl 2,2-dimethylhexanediimidate.
What is the SMILES notation for dimethyl 2,2-dimethylhexanediimidate?
The canonical SMILES for dimethyl 2,2-dimethylhexanediimidate is [H]/N=C(/CCCC(C)(C)/C(=N/[H])OC)OC.
What is the InChIKey of dimethyl 2,2-dimethylhexanediimidate?
The InChIKey is LQCQBGQMRDCRQW-QAHSQZNUSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-10(2,9(12)14-4)7-5-6-8(11)13-3/h11-12H,5-7H2,1-4H3/b11-8-,12-9-.
What are the key properties of dimethyl 2,2-dimethylhexanediimidate?
dimethyl 2,2-dimethylhexanediimidate has a molecular weight of 200.28 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2,2-dimethylhexanediimidate is sourced from PubChem (CID 175029785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).