methyl N-methyl-N-(propan-2-ylcarbamoyl)carbamimidate

C7H15N3O2 — CID 135219550

IUPACmethyl N-methyl-N-(propan-2-ylcarbamoyl)carbamimidate
SMILES[H]/N=C(\OC)N(C)C(=O)NC(C)C
InChIInChI=1S/C7H15N3O2/c1-5(2)9-7(11)10(3)6(8)12-4/h5,8H,1-4H3,(H,9,11)/b8-6-
InChIKeyCUDIWYBMFNQJLC-VURMDHGXSA-N
MW173.22 g/mol
LogP0.62
Rot. Bonds1

About methyl N-methyl-N-(propan-2-ylcarbamoyl)carbamimidate

methyl N-methyl-N-(propan-2-ylcarbamoyl)carbamimidate (PubChem CID 135219550) has the molecular formula C7H15N3O2 and a molecular weight of 173.22 g/mol. Its IUPAC name is methyl N-methyl-N-(propan-2-ylcarbamoyl)carbamimidate.

Molecular Properties

Compound Namemethyl N-methyl-N-(propan-2-ylcarbamoyl)carbamimidate
PubChem CID135219550
Molecular FormulaC7H15N3O2
Molecular Weight173.22 g/mol
Exact Mass173.12
IUPAC Namemethyl N-methyl-N-(propan-2-ylcarbamoyl)carbamimidate
SMILES[H]/N=C(\OC)N(C)C(=O)NC(C)C
InChIInChI=1S/C7H15N3O2/c1-5(2)9-7(11)10(3)6(8)12-4/h5,8H,1-4H3,(H,9,11)/b8-6-
InChIKeyCUDIWYBMFNQJLC-VURMDHGXSA-N
XLogP0.62
TPSA65.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 50.62
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of methyl N-methyl-N-(propan-2-ylcarbamoyl)carbamimidate?
The IUPAC name of methyl N-methyl-N-(propan-2-ylcarbamoyl)carbamimidate (CID 135219550) is methyl N-methyl-N-(propan-2-ylcarbamoyl)carbamimidate.
What is the SMILES notation for methyl N-methyl-N-(propan-2-ylcarbamoyl)carbamimidate?
The canonical SMILES for methyl N-methyl-N-(propan-2-ylcarbamoyl)carbamimidate is [H]/N=C(\OC)N(C)C(=O)NC(C)C.
What is the InChIKey of methyl N-methyl-N-(propan-2-ylcarbamoyl)carbamimidate?
The InChIKey is CUDIWYBMFNQJLC-VURMDHGXSA-N. The full InChI is InChI=1S/C7H15N3O2/c1-5(2)9-7(11)10(3)6(8)12-4/h5,8H,1-4H3,(H,9,11)/b8-6-.
What are the key properties of methyl N-methyl-N-(propan-2-ylcarbamoyl)carbamimidate?
methyl N-methyl-N-(propan-2-ylcarbamoyl)carbamimidate has a molecular weight of 173.22 g/mol, XLogP of 0.62, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-methyl-N-(propan-2-ylcarbamoyl)carbamimidate is sourced from PubChem (CID 135219550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).