N'-methyl-N-pentan-3-ylprop-2-enimidamide

C9H18N2 — CID 143846721

IUPACN'-methyl-N-pentan-3-ylprop-2-enimidamide
SMILESC=C/C(=N\C)NC(CC)CC
InChIInChI=1S/C9H18N2/c1-5-8(6-2)11-9(7-3)10-4/h7-8H,3,5-6H2,1-2,4H3,(H,10,11)
InChIKeyREPXCIFGDDVGGN-UHFFFAOYSA-N
MW154.26 g/mol
LogP1.98
Rot. Bonds4

About N'-methyl-N-pentan-3-ylprop-2-enimidamide

N'-methyl-N-pentan-3-ylprop-2-enimidamide (PubChem CID 143846721) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is N'-methyl-N-pentan-3-ylprop-2-enimidamide.

Molecular Properties

Compound NameN'-methyl-N-pentan-3-ylprop-2-enimidamide
PubChem CID143846721
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC NameN'-methyl-N-pentan-3-ylprop-2-enimidamide
SMILESC=C/C(=N\C)NC(CC)CC
InChIInChI=1S/C9H18N2/c1-5-8(6-2)11-9(7-3)10-4/h7-8H,3,5-6H2,1-2,4H3,(H,10,11)
InChIKeyREPXCIFGDDVGGN-UHFFFAOYSA-N
XLogP1.98
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 51.98
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

(1E)-N,N'-Di(propan-2-yl)prop-2-enimidamide
CID 330685
N,N'-di(propan-2-yl)but-3-enimidamide
CID 134920311
(E)-N,N'-di(propan-2-yl)but-2-enimidamide
CID 21721177
N,N'-bis(prop-2-enyl)ethanimidamide
CID 11629618
2-ethenyl-5-methyl-4,5-dihydro-1H-imidazole
CID 20244290
N-propan-2-yl-N'-propylprop-2-enimidamide
CID 20344304
N,N'-bis(2-methylpropyl)prop-2-enimidamide
CID 21541742
N'-methyl-N-propan-2-ylprop-2-enimidamide
CID 21720545
N-pentyl-2H-pyrrol-5-amine
CID 67916644
N-propan-2-yl-N'-prop-2-enyl-3-(prop-2-enylamino)propanimidamide
CID 88113944
N-propan-2-yl-2H-pyrrol-5-amine
CID 89879696
N'-methyl-2-methylimino-N-pentan-3-ylbut-3-enimidamide
CID 91476468

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-pentan-3-ylprop-2-enimidamide?
The IUPAC name of N'-methyl-N-pentan-3-ylprop-2-enimidamide (CID 143846721) is N'-methyl-N-pentan-3-ylprop-2-enimidamide.
What is the SMILES notation for N'-methyl-N-pentan-3-ylprop-2-enimidamide?
The canonical SMILES for N'-methyl-N-pentan-3-ylprop-2-enimidamide is C=C/C(=N\C)NC(CC)CC.
What is the InChIKey of N'-methyl-N-pentan-3-ylprop-2-enimidamide?
The InChIKey is REPXCIFGDDVGGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-5-8(6-2)11-9(7-3)10-4/h7-8H,3,5-6H2,1-2,4H3,(H,10,11).
What are the key properties of N'-methyl-N-pentan-3-ylprop-2-enimidamide?
N'-methyl-N-pentan-3-ylprop-2-enimidamide has a molecular weight of 154.26 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-pentan-3-ylprop-2-enimidamide is sourced from PubChem (CID 143846721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).