methyl N-methyl-N-propan-2-ylcarbamimidate

C6H14N2O — CID 45087420

IUPACmethyl N-methyl-N-propan-2-ylcarbamimidate
SMILES[H]/N=C(\OC)N(C)C(C)C
InChIInChI=1S/C6H14N2O/c1-5(2)8(3)6(7)9-4/h5,7H,1-4H3/b7-6-
InChIKeyNRRKXWJNEYXZCE-SREVYHEPSA-N
MW130.19 g/mol
LogP0.91
Rot. Bonds1

About methyl N-methyl-N-propan-2-ylcarbamimidate

methyl N-methyl-N-propan-2-ylcarbamimidate (PubChem CID 45087420) has the molecular formula C6H14N2O and a molecular weight of 130.19 g/mol. Its IUPAC name is methyl N-methyl-N-propan-2-ylcarbamimidate.

Molecular Properties

Compound Namemethyl N-methyl-N-propan-2-ylcarbamimidate
PubChem CID45087420
Molecular FormulaC6H14N2O
Molecular Weight130.19 g/mol
Exact Mass130.11
IUPAC Namemethyl N-methyl-N-propan-2-ylcarbamimidate
SMILES[H]/N=C(\OC)N(C)C(C)C
InChIInChI=1S/C6H14N2O/c1-5(2)8(3)6(7)9-4/h5,7H,1-4H3/b7-6-
InChIKeyNRRKXWJNEYXZCE-SREVYHEPSA-N
XLogP0.91
TPSA36.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 50.91
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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Frequently Asked Questions

What is the IUPAC name of methyl N-methyl-N-propan-2-ylcarbamimidate?
The IUPAC name of methyl N-methyl-N-propan-2-ylcarbamimidate (CID 45087420) is methyl N-methyl-N-propan-2-ylcarbamimidate.
What is the SMILES notation for methyl N-methyl-N-propan-2-ylcarbamimidate?
The canonical SMILES for methyl N-methyl-N-propan-2-ylcarbamimidate is [H]/N=C(\OC)N(C)C(C)C.
What is the InChIKey of methyl N-methyl-N-propan-2-ylcarbamimidate?
The InChIKey is NRRKXWJNEYXZCE-SREVYHEPSA-N. The full InChI is InChI=1S/C6H14N2O/c1-5(2)8(3)6(7)9-4/h5,7H,1-4H3/b7-6-.
What are the key properties of methyl N-methyl-N-propan-2-ylcarbamimidate?
methyl N-methyl-N-propan-2-ylcarbamimidate has a molecular weight of 130.19 g/mol, XLogP of 0.91, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-methyl-N-propan-2-ylcarbamimidate is sourced from PubChem (CID 45087420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).