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

C10H18N2 — CID 177217363

IUPAC(2Z)-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-TWGQIWQCSA-N
MW166.27 g/mol
LogP2.13
Rot. Bonds4

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

(2Z)-N'-methyl-2-(2-methylpropyl)penta-2,4-dienimidamide (PubChem CID 177217363) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is (2Z)-N'-methyl-2-(2-methylpropyl)penta-2,4-dienimidamide.

Molecular Properties

Compound Name(2Z)-N'-methyl-2-(2-methylpropyl)penta-2,4-dienimidamide
PubChem CID177217363
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name(2Z)-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-TWGQIWQCSA-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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Related Compounds

(E,2Z)-2-ethylidene-3-methyl-N'-[(E)-prop-1-enyl]hept-5-enimidamide
CID 89383546
N'-(cyclohexa-1,3-diene-1-carboximidoyl)cyclohexa-1,5-diene-1-carboximidamide
CID 118363268
5-Methylcyclohexa-1,3-diene-1-carboximidamide
CID 121291508
(6Z)-5-[(5Z)-5,7-dimethylocta-3,5,7-trien-4-yl]-6-(2-methylbut-2-enylidene)-2,3-dihydroazepin-7-amine
CID 123413789
(2E)-N-[(3Z)-1-amino-2-methylidenehexa-3,5-dienylidene]-N'-(cyclohepta-2,4,6-trien-1-ylmethyl)-2-methylocta-2,7-dienimidamide
CID 129142229
(1E,3Z)-N'-methylcycloocta-1,3,6-triene-1-carboximidamide
CID 132095951
(2E,4Z)-3-ethyl-N',4-dimethyl-2-prop-1-en-2-ylhexa-2,4-dienimidamide
CID 132236435
N'-methylcyclohexa-1,3-diene-1-carboximidamide
CID 137386436
(4Z)-N',2-dimethyl-4-[(Z)-prop-1-enyl]hepta-4,6-dienimidamide;propan-1-amine
CID 141794545
(Z)-2-(1-cyclohexylethenyl)-N'-methylhex-2-enimidamide
CID 142207738
(2E)-2-buta-1,3-dien-2-yl-N'-methylpenta-2,4-dienimidamide
CID 142943943
7-methyl-6,7,8,9-tetrahydro-3H-2-benzazepin-1-amine
CID 143158039

Frequently Asked Questions

What is the IUPAC name of (2Z)-N'-methyl-2-(2-methylpropyl)penta-2,4-dienimidamide?
The IUPAC name of (2Z)-N'-methyl-2-(2-methylpropyl)penta-2,4-dienimidamide (CID 177217363) is (2Z)-N'-methyl-2-(2-methylpropyl)penta-2,4-dienimidamide.
What is the SMILES notation for (2Z)-N'-methyl-2-(2-methylpropyl)penta-2,4-dienimidamide?
The canonical SMILES for (2Z)-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 (2Z)-N'-methyl-2-(2-methylpropyl)penta-2,4-dienimidamide?
The InChIKey is TYMFHABPBPJKFE-TWGQIWQCSA-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 (2Z)-N'-methyl-2-(2-methylpropyl)penta-2,4-dienimidamide?
(2Z)-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 (2Z)-N'-methyl-2-(2-methylpropyl)penta-2,4-dienimidamide is sourced from PubChem (CID 177217363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).