methyl N-(2,2-dimethylpropylidene)carbamimidate

C7H14N2O — CID 154035854

IUPACmethyl N-(2,2-dimethylpropylidene)carbamimidate
SMILES[H]/N=C(/N=CC(C)(C)C)OC
InChIInChI=1S/C7H14N2O/c1-7(2,3)5-9-6(8)10-4/h5,8H,1-4H3/b8-6-,9-5?
InChIKeyZELSYRCKTYKRSI-HNXKGUSDSA-N
MW142.20 g/mol
LogP1.68
Rot. Bonds

About methyl N-(2,2-dimethylpropylidene)carbamimidate

methyl N-(2,2-dimethylpropylidene)carbamimidate (PubChem CID 154035854) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is methyl N-(2,2-dimethylpropylidene)carbamimidate.

Molecular Properties

Compound Namemethyl N-(2,2-dimethylpropylidene)carbamimidate
PubChem CID154035854
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC Namemethyl N-(2,2-dimethylpropylidene)carbamimidate
SMILES[H]/N=C(/N=CC(C)(C)C)OC
InChIInChI=1S/C7H14N2O/c1-7(2,3)5-9-6(8)10-4/h5,8H,1-4H3/b8-6-,9-5?
InChIKeyZELSYRCKTYKRSI-HNXKGUSDSA-N
XLogP1.68
TPSA45.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.68
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'}

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Related Compounds

(2Z)-2-(2,2-dimethylpropylideneamino)-2-methoxyiminoacetic acid
CID 166117446
N-[(Z)-4,4-dimethylpent-2-en-2-yl]-2,2-dimethylpropan-1-imine
CID 59179900
methyl 2-isocyanato-2-methylpropanoate
CID 2769374
CID 173468078
CID 173468078
1-[(E)-3,3-dimethylbutan-2-ylideneamino]-3-methylguanidine
CID 176535024
2-amino-4-imino-4-methoxybut-2-enoic acid
CID 174379959
N-(1-methoxyethyliminomethyl)ethanimidamide
CID 176529079
N-[(2S)-1-methoxypropan-2-yl]-2,2-dimethylpropan-1-imine
CID 10888172
[N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]carbamic acid
CID 173143788
[(E)-1-methoxyprop-1-enyl]diazene
CID 163432411
methyl 3-amino-3-imino-2,2-dimethylpropanoate;hydrochloride
CID 170558694
methyl 3,3,5-trimethylhex-4-enoate
CID 22322855

Frequently Asked Questions

What is the IUPAC name of methyl N-(2,2-dimethylpropylidene)carbamimidate?
The IUPAC name of methyl N-(2,2-dimethylpropylidene)carbamimidate (CID 154035854) is methyl N-(2,2-dimethylpropylidene)carbamimidate.
What is the SMILES notation for methyl N-(2,2-dimethylpropylidene)carbamimidate?
The canonical SMILES for methyl N-(2,2-dimethylpropylidene)carbamimidate is [H]/N=C(/N=CC(C)(C)C)OC.
What is the InChIKey of methyl N-(2,2-dimethylpropylidene)carbamimidate?
The InChIKey is ZELSYRCKTYKRSI-HNXKGUSDSA-N. The full InChI is InChI=1S/C7H14N2O/c1-7(2,3)5-9-6(8)10-4/h5,8H,1-4H3/b8-6-,9-5?.
What are the key properties of methyl N-(2,2-dimethylpropylidene)carbamimidate?
methyl N-(2,2-dimethylpropylidene)carbamimidate has a molecular weight of 142.20 g/mol, XLogP of 1.68, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(2,2-dimethylpropylidene)carbamimidate is sourced from PubChem (CID 154035854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).