(2E)-N'-methyl-2-(2-methylpropyl)penta-2,4-dienimidamide

C10H18N2 — CID 167121987

IUPAC(2E)-N'-methyl-2-(2-methylpropyl)penta-2,4-dienimidamide
SMILESC=C/C=C(CC(C)C)/C(N)=N/C
InChIInChI=1S/C10H18N2/c1-5-6-9(7-8(2)3)10(11)12-4/h5-6,8H,1,7H2,2-4H3,(H2,11,12)/b9-6+
InChIKeyTYMFHABPBPJKFE-RMKNXTFCSA-N
MW166.27 g/mol
LogP2.13
Rot. Bonds4

About (2E)-N'-methyl-2-(2-methylpropyl)penta-2,4-dienimidamide

(2E)-N'-methyl-2-(2-methylpropyl)penta-2,4-dienimidamide (PubChem CID 167121987) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is (2E)-N'-methyl-2-(2-methylpropyl)penta-2,4-dienimidamide.

Molecular Properties

Compound Name(2E)-N'-methyl-2-(2-methylpropyl)penta-2,4-dienimidamide
PubChem CID167121987
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name(2E)-N'-methyl-2-(2-methylpropyl)penta-2,4-dienimidamide
SMILESC=C/C=C(CC(C)C)/C(N)=N/C
InChIInChI=1S/C10H18N2/c1-5-6-9(7-8(2)3)10(11)12-4/h5-6,8H,1,7H2,2-4H3,(H2,11,12)/b9-6+
InChIKeyTYMFHABPBPJKFE-RMKNXTFCSA-N
XLogP2.13
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 52.13
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E)-N'-methyl-2-(2-methylpropyl)penta-2,4-dienimidamide?
The IUPAC name of (2E)-N'-methyl-2-(2-methylpropyl)penta-2,4-dienimidamide (CID 167121987) is (2E)-N'-methyl-2-(2-methylpropyl)penta-2,4-dienimidamide.
What is the SMILES notation for (2E)-N'-methyl-2-(2-methylpropyl)penta-2,4-dienimidamide?
The canonical SMILES for (2E)-N'-methyl-2-(2-methylpropyl)penta-2,4-dienimidamide is C=C/C=C(CC(C)C)/C(N)=N/C.
What is the InChIKey of (2E)-N'-methyl-2-(2-methylpropyl)penta-2,4-dienimidamide?
The InChIKey is TYMFHABPBPJKFE-RMKNXTFCSA-N. The full InChI is InChI=1S/C10H18N2/c1-5-6-9(7-8(2)3)10(11)12-4/h5-6,8H,1,7H2,2-4H3,(H2,11,12)/b9-6+.
What are the key properties of (2E)-N'-methyl-2-(2-methylpropyl)penta-2,4-dienimidamide?
(2E)-N'-methyl-2-(2-methylpropyl)penta-2,4-dienimidamide has a molecular weight of 166.27 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N'-methyl-2-(2-methylpropyl)penta-2,4-dienimidamide is sourced from PubChem (CID 167121987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).