(E)-N,N',3,4-tetramethylpent-2-enimidamide

C9H18N2 — CID 166106802

IUPAC(E)-N,N',3,4-tetramethylpent-2-enimidamide
SMILESC/N=C(/C=C(\C)C(C)C)NC
InChIInChI=1S/C9H18N2/c1-7(2)8(3)6-9(10-4)11-5/h6-7H,1-5H3,(H,10,11)/b8-6+
InChIKeyROMFDFRUUJFGTD-SOFGYWHQSA-N
MW154.26 g/mol
LogP1.84
Rot. Bonds2

About (E)-N,N',3,4-tetramethylpent-2-enimidamide

(E)-N,N',3,4-tetramethylpent-2-enimidamide (PubChem CID 166106802) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is (E)-N,N',3,4-tetramethylpent-2-enimidamide.

Molecular Properties

Compound Name(E)-N,N',3,4-tetramethylpent-2-enimidamide
PubChem CID166106802
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name(E)-N,N',3,4-tetramethylpent-2-enimidamide
SMILESC/N=C(/C=C(\C)C(C)C)NC
InChIInChI=1S/C9H18N2/c1-7(2)8(3)6-9(10-4)11-5/h6-7H,1-5H3,(H,10,11)/b8-6+
InChIKeyROMFDFRUUJFGTD-SOFGYWHQSA-N
XLogP1.84
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 51.84
H-Bond Donors ≤ 51
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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Related Compounds

(E)-5,5,5-trifluoro-N,N',3-trimethylpent-2-enimidamide
CID 143155770
N,N'-dimethylpent-2-enimidamide
CID 123169307
N-[(Z)-3,4-dimethylpent-2-enyl]-N'-methylethanimidamide
CID 130348654
(E)-N',3,4-trimethylpent-2-enimidamide
CID 138495432
(E)-3,4-dimethyl-N'-propan-2-ylpent-2-enimidamide
CID 139310002
(Z)-N,N',3-trimethylpent-2-enimidamide
CID 142051323
(Z)-N,N'-dimethylpent-2-enimidamide
CID 142369047
(Z)-N-ethyl-N',3-dimethyl-N-[2-(methylamino)ethyl]pent-2-enimidamide
CID 142398174
(2Z)-3-ethyl-N,N'-dimethylpenta-2,4-dienimidamide;molecular hydrogen;hydrate
CID 143230987
(2Z)-N,N',4-trimethylpenta-2,4-dienimidamide
CID 143743862
3-ethyl-N'-methylpent-2-enimidamide
CID 166555726
(E)-N-ethenyl-N',3,4-trimethylpent-2-enimidamide
CID 166924746

Frequently Asked Questions

What is the IUPAC name of (E)-N,N',3,4-tetramethylpent-2-enimidamide?
The IUPAC name of (E)-N,N',3,4-tetramethylpent-2-enimidamide (CID 166106802) is (E)-N,N',3,4-tetramethylpent-2-enimidamide.
What is the SMILES notation for (E)-N,N',3,4-tetramethylpent-2-enimidamide?
The canonical SMILES for (E)-N,N',3,4-tetramethylpent-2-enimidamide is C/N=C(/C=C(\C)C(C)C)NC.
What is the InChIKey of (E)-N,N',3,4-tetramethylpent-2-enimidamide?
The InChIKey is ROMFDFRUUJFGTD-SOFGYWHQSA-N. The full InChI is InChI=1S/C9H18N2/c1-7(2)8(3)6-9(10-4)11-5/h6-7H,1-5H3,(H,10,11)/b8-6+.
What are the key properties of (E)-N,N',3,4-tetramethylpent-2-enimidamide?
(E)-N,N',3,4-tetramethylpent-2-enimidamide has a molecular weight of 154.26 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N',3,4-tetramethylpent-2-enimidamide is sourced from PubChem (CID 166106802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).