[(2S)-1-methylpyrrolidin-2-yl]methyl N'-methyl-N-prop-1-en-2-ylcarbamimidate

C11H21N3O — CID 166806948

IUPAC[(2S)-1-methylpyrrolidin-2-yl]methyl N'-methyl-N-prop-1-en-2-ylcarbamimidate
SMILESC=C(C)N/C(=N\C)OC[C@@H]1CCCN1C
InChIInChI=1S/C11H21N3O/c1-9(2)13-11(12-3)15-8-10-6-5-7-14(10)4/h10H,1,5-8H2,2-4H3,(H,12,13)/t10-/m0/s1
InChIKeyKFDGSRWUQLJNJM-JTQLQIEISA-N
MW211.31 g/mol
LogP1.21
Rot. Bonds3

About [(2S)-1-methylpyrrolidin-2-yl]methyl N'-methyl-N-prop-1-en-2-ylcarbamimidate

[(2S)-1-methylpyrrolidin-2-yl]methyl N'-methyl-N-prop-1-en-2-ylcarbamimidate (PubChem CID 166806948) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is [(2S)-1-methylpyrrolidin-2-yl]methyl N'-methyl-N-prop-1-en-2-ylcarbamimidate.

Molecular Properties

Compound Name[(2S)-1-methylpyrrolidin-2-yl]methyl N'-methyl-N-prop-1-en-2-ylcarbamimidate
PubChem CID166806948
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name[(2S)-1-methylpyrrolidin-2-yl]methyl N'-methyl-N-prop-1-en-2-ylcarbamimidate
SMILESC=C(C)N/C(=N\C)OC[C@@H]1CCCN1C
InChIInChI=1S/C11H21N3O/c1-9(2)13-11(12-3)15-8-10-6-5-7-14(10)4/h10H,1,5-8H2,2-4H3,(H,12,13)/t10-/m0/s1
InChIKeyKFDGSRWUQLJNJM-JTQLQIEISA-N
XLogP1.21
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

[(2S)-1-methylpyrrolidin-2-yl]methyl N-(3-fluorobuta-1,3-dien-2-yl)-N'-methylcarbamimidate
CID 170098116
[(2S)-1-methylpyrrolidin-2-yl]methyl N-ethyl-N'-methylcarbamimidate
CID 166822946
methyl-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]phosphinic acid
CID 89327718
[(2S)-1-methylpyrrolidin-2-yl]methyl hypoiodite
CID 149141238
difluoromethanol;O-[(1-methylpyrrolidin-2-yl)methyl]hydroxylamine
CID 168880743
(1-methylpyrrolidin-2-yl)methanol;yttrium
CID 164903793
2-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]ethanamine
CID 54091404
3-amino-1,2-dimethyl-1-[(1-methylpyrrolidin-2-yl)methyl]guanidine
CID 104882350
ethane;2-(ethoxymethyl)-1-methylpyrrolidine
CID 169145954
(Z)-N-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]ethanimine
CID 11275136
N-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]ethanimine
CID 70691335
cyclohexane;[(2S)-1-methylpyrrolidin-2-yl]methanol;molecular hydrogen
CID 143951282

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-methylpyrrolidin-2-yl]methyl N'-methyl-N-prop-1-en-2-ylcarbamimidate?
The IUPAC name of [(2S)-1-methylpyrrolidin-2-yl]methyl N'-methyl-N-prop-1-en-2-ylcarbamimidate (CID 166806948) is [(2S)-1-methylpyrrolidin-2-yl]methyl N'-methyl-N-prop-1-en-2-ylcarbamimidate.
What is the SMILES notation for [(2S)-1-methylpyrrolidin-2-yl]methyl N'-methyl-N-prop-1-en-2-ylcarbamimidate?
The canonical SMILES for [(2S)-1-methylpyrrolidin-2-yl]methyl N'-methyl-N-prop-1-en-2-ylcarbamimidate is C=C(C)N/C(=N\C)OC[C@@H]1CCCN1C.
What is the InChIKey of [(2S)-1-methylpyrrolidin-2-yl]methyl N'-methyl-N-prop-1-en-2-ylcarbamimidate?
The InChIKey is KFDGSRWUQLJNJM-JTQLQIEISA-N. The full InChI is InChI=1S/C11H21N3O/c1-9(2)13-11(12-3)15-8-10-6-5-7-14(10)4/h10H,1,5-8H2,2-4H3,(H,12,13)/t10-/m0/s1.
What are the key properties of [(2S)-1-methylpyrrolidin-2-yl]methyl N'-methyl-N-prop-1-en-2-ylcarbamimidate?
[(2S)-1-methylpyrrolidin-2-yl]methyl N'-methyl-N-prop-1-en-2-ylcarbamimidate has a molecular weight of 211.31 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-methylpyrrolidin-2-yl]methyl N'-methyl-N-prop-1-en-2-ylcarbamimidate is sourced from PubChem (CID 166806948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).