N-methyl-N-[2-(methylamino)ethyl]-N'-[(E)-(1-methyl-4H-imidazol-5-ylidene)methyl]ethanimidamide

C11H21N5 — CID 134268440

IUPACN-methyl-N-[2-(methylamino)ethyl]-N'-[(E)-(1-methyl-4H-imidazol-5-ylidene)methyl]ethanimidamide
SMILESCNCCN(C)/C(C)=N/C=C1\CN=CN1C
InChIInChI=1S/C11H21N5/c1-10(15(3)6-5-12-2)14-8-11-7-13-9-16(11)4/h8-9,12H,5-7H2,1-4H3/b11-8+,14-10+
InChIKeyQOHTUOFTEXSLRF-CTQAOBCWSA-N
MW223.32 g/mol
LogP0.37
Rot. Bonds4

About N-methyl-N-[2-(methylamino)ethyl]-N'-[(E)-(1-methyl-4H-imidazol-5-ylidene)methyl]ethanimidamide

N-methyl-N-[2-(methylamino)ethyl]-N'-[(E)-(1-methyl-4H-imidazol-5-ylidene)methyl]ethanimidamide (PubChem CID 134268440) has the molecular formula C11H21N5 and a molecular weight of 223.32 g/mol. Its IUPAC name is N-methyl-N-[2-(methylamino)ethyl]-N'-[(E)-(1-methyl-4H-imidazol-5-ylidene)methyl]ethanimidamide.

Molecular Properties

Compound NameN-methyl-N-[2-(methylamino)ethyl]-N'-[(E)-(1-methyl-4H-imidazol-5-ylidene)methyl]ethanimidamide
PubChem CID134268440
Molecular FormulaC11H21N5
Molecular Weight223.32 g/mol
Exact Mass223.18
IUPAC NameN-methyl-N-[2-(methylamino)ethyl]-N'-[(E)-(1-methyl-4H-imidazol-5-ylidene)methyl]ethanimidamide
SMILESCNCCN(C)/C(C)=N/C=C1\CN=CN1C
InChIInChI=1S/C11H21N5/c1-10(15(3)6-5-12-2)14-8-11-7-13-9-16(11)4/h8-9,12H,5-7H2,1-4H3/b11-8+,14-10+
InChIKeyQOHTUOFTEXSLRF-CTQAOBCWSA-N
XLogP0.37
TPSA43.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-methyl-N-[2-(methylamino)ethyl]-N'-[(E)-(1-methyl-4H-imidazol-5-ylidene)methyl]ethanimidamide?
The IUPAC name of N-methyl-N-[2-(methylamino)ethyl]-N'-[(E)-(1-methyl-4H-imidazol-5-ylidene)methyl]ethanimidamide (CID 134268440) is N-methyl-N-[2-(methylamino)ethyl]-N'-[(E)-(1-methyl-4H-imidazol-5-ylidene)methyl]ethanimidamide.
What is the SMILES notation for N-methyl-N-[2-(methylamino)ethyl]-N'-[(E)-(1-methyl-4H-imidazol-5-ylidene)methyl]ethanimidamide?
The canonical SMILES for N-methyl-N-[2-(methylamino)ethyl]-N'-[(E)-(1-methyl-4H-imidazol-5-ylidene)methyl]ethanimidamide is CNCCN(C)/C(C)=N/C=C1\CN=CN1C.
What is the InChIKey of N-methyl-N-[2-(methylamino)ethyl]-N'-[(E)-(1-methyl-4H-imidazol-5-ylidene)methyl]ethanimidamide?
The InChIKey is QOHTUOFTEXSLRF-CTQAOBCWSA-N. The full InChI is InChI=1S/C11H21N5/c1-10(15(3)6-5-12-2)14-8-11-7-13-9-16(11)4/h8-9,12H,5-7H2,1-4H3/b11-8+,14-10+.
What are the key properties of N-methyl-N-[2-(methylamino)ethyl]-N'-[(E)-(1-methyl-4H-imidazol-5-ylidene)methyl]ethanimidamide?
N-methyl-N-[2-(methylamino)ethyl]-N'-[(E)-(1-methyl-4H-imidazol-5-ylidene)methyl]ethanimidamide has a molecular weight of 223.32 g/mol, XLogP of 0.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(methylamino)ethyl]-N'-[(E)-(1-methyl-4H-imidazol-5-ylidene)methyl]ethanimidamide is sourced from PubChem (CID 134268440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).