methyl N'-[(Z)-4-methylpent-2-en-2-yl]carbamimidate

C8H16N2O — CID 135269899

IUPACmethyl N'-[(Z)-4-methylpent-2-en-2-yl]carbamimidate
SMILESCO/C(N)=N\C(C)=C/C(C)C
InChIInChI=1S/C8H16N2O/c1-6(2)5-7(3)10-8(9)11-4/h5-6H,1-4H3,(H2,9,10)/b7-5-
InChIKeySXCWFYGZRAOBNQ-ALCCZGGFSA-N
MW156.23 g/mol
LogP1.51
Rot. Bonds2

About methyl N'-[(Z)-4-methylpent-2-en-2-yl]carbamimidate

methyl N'-[(Z)-4-methylpent-2-en-2-yl]carbamimidate (PubChem CID 135269899) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is methyl N'-[(Z)-4-methylpent-2-en-2-yl]carbamimidate.

Molecular Properties

Compound Namemethyl N'-[(Z)-4-methylpent-2-en-2-yl]carbamimidate
PubChem CID135269899
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Namemethyl N'-[(Z)-4-methylpent-2-en-2-yl]carbamimidate
SMILESCO/C(N)=N\C(C)=C/C(C)C
InChIInChI=1S/C8H16N2O/c1-6(2)5-7(3)10-8(9)11-4/h5-6H,1-4H3,(H2,9,10)/b7-5-
InChIKeySXCWFYGZRAOBNQ-ALCCZGGFSA-N
XLogP1.51
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 51.51
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

(Z)-4-methylpent-2-en-2-amine
CID 154483305
methyl (E)-2-hydroxy-3,5-dimethylhex-3-enoate
CID 11298226
4-methyl-N-(4-methylpent-2-en-2-ylamino)oxysilyloxypent-2-en-2-amine
CID 123766363
3,5-dimethylhex-3-enamide
CID 76566666
(2E,4E)-4,6-dimethylhepta-2,4-dien-2-amine
CID 163732372
ethyl (NZ)-N-[amino(methoxy)methylidene]carbamate
CID 22756468
methyl N'-(methylsulfanylcarbamoyl)carbamimidate
CID 21442387
methyl (Z)-2-acetyl-4-methylpent-2-enoate
CID 23247156
(E)-2-methoxy-4-methylpent-2-enal
CID 123990097
methyl N'-(1-cyclopropylethenyl)carbamimidate
CID 155009487
N'-(1-methoxy-2-methylprop-1-enyl)-2-methylbut-3-enimidamide
CID 143310849
methyl N'-[(4-propan-2-ylphenyl)carbamothioyl]carbamimidate
CID 2746666

Frequently Asked Questions

What is the IUPAC name of methyl N'-[(Z)-4-methylpent-2-en-2-yl]carbamimidate?
The IUPAC name of methyl N'-[(Z)-4-methylpent-2-en-2-yl]carbamimidate (CID 135269899) is methyl N'-[(Z)-4-methylpent-2-en-2-yl]carbamimidate.
What is the SMILES notation for methyl N'-[(Z)-4-methylpent-2-en-2-yl]carbamimidate?
The canonical SMILES for methyl N'-[(Z)-4-methylpent-2-en-2-yl]carbamimidate is CO/C(N)=N\C(C)=C/C(C)C.
What is the InChIKey of methyl N'-[(Z)-4-methylpent-2-en-2-yl]carbamimidate?
The InChIKey is SXCWFYGZRAOBNQ-ALCCZGGFSA-N. The full InChI is InChI=1S/C8H16N2O/c1-6(2)5-7(3)10-8(9)11-4/h5-6H,1-4H3,(H2,9,10)/b7-5-.
What are the key properties of methyl N'-[(Z)-4-methylpent-2-en-2-yl]carbamimidate?
methyl N'-[(Z)-4-methylpent-2-en-2-yl]carbamimidate has a molecular weight of 156.23 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N'-[(Z)-4-methylpent-2-en-2-yl]carbamimidate is sourced from PubChem (CID 135269899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).