N,N-diethylcarbamimidate

C5H11N2O- — CID 5078544

IUPACN,N-diethylcarbamimidate
SMILES[H]/N=C(\[O-])N(CC)CC
InChIInChI=1S/C5H12N2O/c1-3-7(4-2)5(6)8/h3-4H2,1-2H3,(H2,6,8)/p-1
InChIKeyTUMNHQRORINJKE-UHFFFAOYSA-M
MW115.16 g/mol
LogP-0.38
Rot. Bonds2

About N,N-diethylcarbamimidate

N,N-diethylcarbamimidate (PubChem CID 5078544) has the molecular formula C5H11N2O- and a molecular weight of 115.16 g/mol. Its IUPAC name is N,N-diethylcarbamimidate.

Molecular Properties

Compound NameN,N-diethylcarbamimidate
PubChem CID5078544
Molecular FormulaC5H11N2O-
Molecular Weight115.16 g/mol
Exact Mass115.09
IUPAC NameN,N-diethylcarbamimidate
SMILES[H]/N=C(\[O-])N(CC)CC
InChIInChI=1S/C5H12N2O/c1-3-7(4-2)5(6)8/h3-4H2,1-2H3,(H2,6,8)/p-1
InChIKeyTUMNHQRORINJKE-UHFFFAOYSA-M
XLogP-0.38
TPSA50.15 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.16
LogP ≤ 5-0.38
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 N,N-diethylcarbamimidate?
The IUPAC name of N,N-diethylcarbamimidate (CID 5078544) is N,N-diethylcarbamimidate.
What is the SMILES notation for N,N-diethylcarbamimidate?
The canonical SMILES for N,N-diethylcarbamimidate is [H]/N=C(\[O-])N(CC)CC.
What is the InChIKey of N,N-diethylcarbamimidate?
The InChIKey is TUMNHQRORINJKE-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H12N2O/c1-3-7(4-2)5(6)8/h3-4H2,1-2H3,(H2,6,8)/p-1.
What are the key properties of N,N-diethylcarbamimidate?
N,N-diethylcarbamimidate has a molecular weight of 115.16 g/mol, XLogP of -0.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethylcarbamimidate is sourced from PubChem (CID 5078544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).