methyl 2-chloro-2-methylbutanimidate

C6H12ClNO — CID 118057274

IUPACmethyl 2-chloro-2-methylbutanimidate
SMILES[H]/N=C(\OC)C(C)(Cl)CC
InChIInChI=1S/C6H12ClNO/c1-4-6(2,7)5(8)9-3/h8H,4H2,1-3H3/b8-5-
InChIKeyPMQHANIOJYIFLP-YVMONPNESA-N
MW149.62 g/mol
LogP2.02
Rot. Bonds2

About methyl 2-chloro-2-methylbutanimidate

methyl 2-chloro-2-methylbutanimidate (PubChem CID 118057274) has the molecular formula C6H12ClNO and a molecular weight of 149.62 g/mol. Its IUPAC name is methyl 2-chloro-2-methylbutanimidate.

Molecular Properties

Compound Namemethyl 2-chloro-2-methylbutanimidate
PubChem CID118057274
Molecular FormulaC6H12ClNO
Molecular Weight149.62 g/mol
Exact Mass149.06
IUPAC Namemethyl 2-chloro-2-methylbutanimidate
SMILES[H]/N=C(\OC)C(C)(Cl)CC
InChIInChI=1S/C6H12ClNO/c1-4-6(2,7)5(8)9-3/h8H,4H2,1-3H3/b8-5-
InChIKeyPMQHANIOJYIFLP-YVMONPNESA-N
XLogP2.02
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.62
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

dimethyl 2,2-dimethylhexanediimidate
CID 175029785
methyl 2-[2-(1,1-difluoro-2-imino-2-methoxyethoxy)-1,1,2,2-tetrafluoroethoxy]-2,2-difluoroethanimidate
CID 21326214
ethyl 2-methyl-2-methylsulfanylpropanimidate
CID 127002655
N,N-diethyl-2-methoxypropanimidamide
CID 79605131
methyl 3-[(3-imino-3-methoxypropyl)disulfanyl]-2,2-dimethylpropanimidate;dihydrochloride
CID 141201230
2-phenylpropan-2-yl 2,2,2-trichloroethanimidate
CID 11140517
2-chloro-2-methylbutane;methanol
CID 88619841
1,1,1,3-tetrachloro-3-methylpentan-2-one
CID 151180426
(6-ethyl-3,4,5-trimethyloxan-2-yl) 2,2,2-trichloroethanimidate
CID 54059083
[(2S,4S,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl] 2,2,2-trichloroethanimidate
CID 58173896
2-(4-chlorophenyl)propan-2-yl 2,2,2-trichloroethanimidate
CID 66918649
2-hydroxy-2-methylbutanimidamide
CID 23422942

Frequently Asked Questions

What is the IUPAC name of methyl 2-chloro-2-methylbutanimidate?
The IUPAC name of methyl 2-chloro-2-methylbutanimidate (CID 118057274) is methyl 2-chloro-2-methylbutanimidate.
What is the SMILES notation for methyl 2-chloro-2-methylbutanimidate?
The canonical SMILES for methyl 2-chloro-2-methylbutanimidate is [H]/N=C(\OC)C(C)(Cl)CC.
What is the InChIKey of methyl 2-chloro-2-methylbutanimidate?
The InChIKey is PMQHANIOJYIFLP-YVMONPNESA-N. The full InChI is InChI=1S/C6H12ClNO/c1-4-6(2,7)5(8)9-3/h8H,4H2,1-3H3/b8-5-.
What are the key properties of methyl 2-chloro-2-methylbutanimidate?
methyl 2-chloro-2-methylbutanimidate has a molecular weight of 149.62 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-chloro-2-methylbutanimidate is sourced from PubChem (CID 118057274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).