N,N,N'-trimethylethanimidamide

C5H12N2 — CID 6432300

IUPACN,N,N'-trimethylethanimidamide
SMILESC/N=C(\C)N(C)C
InChIInChI=1S/C5H12N2/c1-5(6-2)7(3)4/h1-4H3/b6-5+
InChIKeyUCBFBQXXPWLTSZ-AATRIKPKSA-N
MW100.16 g/mol
LogP0.60
Rot. Bonds

About N,N,N'-trimethylethanimidamide

N,N,N'-trimethylethanimidamide (PubChem CID 6432300) has the molecular formula C5H12N2 and a molecular weight of 100.16 g/mol. Its IUPAC name is N,N,N'-trimethylethanimidamide.

Molecular Properties

Compound NameN,N,N'-trimethylethanimidamide
PubChem CID6432300
Molecular FormulaC5H12N2
Molecular Weight100.16 g/mol
Exact Mass100.10
IUPAC NameN,N,N'-trimethylethanimidamide
SMILESC/N=C(\C)N(C)C
InChIInChI=1S/C5H12N2/c1-5(6-2)7(3)4/h1-4H3/b6-5+
InChIKeyUCBFBQXXPWLTSZ-AATRIKPKSA-N
XLogP0.60
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.16
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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,N'-trimethylethanimidamide?
The IUPAC name of N,N,N'-trimethylethanimidamide (CID 6432300) is N,N,N'-trimethylethanimidamide.
What is the SMILES notation for N,N,N'-trimethylethanimidamide?
The canonical SMILES for N,N,N'-trimethylethanimidamide is C/N=C(\C)N(C)C.
What is the InChIKey of N,N,N'-trimethylethanimidamide?
The InChIKey is UCBFBQXXPWLTSZ-AATRIKPKSA-N. The full InChI is InChI=1S/C5H12N2/c1-5(6-2)7(3)4/h1-4H3/b6-5+.
What are the key properties of N,N,N'-trimethylethanimidamide?
N,N,N'-trimethylethanimidamide has a molecular weight of 100.16 g/mol, XLogP of 0.60, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,N'-trimethylethanimidamide is sourced from PubChem (CID 6432300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).