3-methyl-N'-[(2Z)-penta-2,4-dien-2-yl]butanimidamide

C10H18N2 — CID 89170025

IUPAC3-methyl-N'-[(2Z)-penta-2,4-dien-2-yl]butanimidamide
SMILESC=C/C=C(C)\N=C(\N)CC(C)C
InChIInChI=1S/C10H18N2/c1-5-6-9(4)12-10(11)7-8(2)3/h5-6,8H,1,7H2,2-4H3,(H2,11,12)/b9-6-
InChIKeyDRBAJZPJZRAPLF-TWGQIWQCSA-N
MW166.27 g/mol
LogP2.48
Rot. Bonds4

About 3-methyl-N'-[(2Z)-penta-2,4-dien-2-yl]butanimidamide

3-methyl-N'-[(2Z)-penta-2,4-dien-2-yl]butanimidamide (PubChem CID 89170025) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 3-methyl-N'-[(2Z)-penta-2,4-dien-2-yl]butanimidamide.

Molecular Properties

Compound Name3-methyl-N'-[(2Z)-penta-2,4-dien-2-yl]butanimidamide
PubChem CID89170025
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name3-methyl-N'-[(2Z)-penta-2,4-dien-2-yl]butanimidamide
SMILESC=C/C=C(C)\N=C(\N)CC(C)C
InChIInChI=1S/C10H18N2/c1-5-6-9(4)12-10(11)7-8(2)3/h5-6,8H,1,7H2,2-4H3,(H2,11,12)/b9-6-
InChIKeyDRBAJZPJZRAPLF-TWGQIWQCSA-N
XLogP2.48
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 ≤ 52.48
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 3-methyl-N'-[(2Z)-penta-2,4-dien-2-yl]butanimidamide?
The IUPAC name of 3-methyl-N'-[(2Z)-penta-2,4-dien-2-yl]butanimidamide (CID 89170025) is 3-methyl-N'-[(2Z)-penta-2,4-dien-2-yl]butanimidamide.
What is the SMILES notation for 3-methyl-N'-[(2Z)-penta-2,4-dien-2-yl]butanimidamide?
The canonical SMILES for 3-methyl-N'-[(2Z)-penta-2,4-dien-2-yl]butanimidamide is C=C/C=C(C)\N=C(\N)CC(C)C.
What is the InChIKey of 3-methyl-N'-[(2Z)-penta-2,4-dien-2-yl]butanimidamide?
The InChIKey is DRBAJZPJZRAPLF-TWGQIWQCSA-N. The full InChI is InChI=1S/C10H18N2/c1-5-6-9(4)12-10(11)7-8(2)3/h5-6,8H,1,7H2,2-4H3,(H2,11,12)/b9-6-.
What are the key properties of 3-methyl-N'-[(2Z)-penta-2,4-dien-2-yl]butanimidamide?
3-methyl-N'-[(2Z)-penta-2,4-dien-2-yl]butanimidamide has a molecular weight of 166.27 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N'-[(2Z)-penta-2,4-dien-2-yl]butanimidamide is sourced from PubChem (CID 89170025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).