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

C9H16N2 — CID 89170024

IUPAC2-methyl-N'-[(2Z)-penta-2,4-dien-2-yl]propanimidamide
SMILESC=C/C=C(C)\N=C(\N)C(C)C
InChIInChI=1S/C9H16N2/c1-5-6-8(4)11-9(10)7(2)3/h5-7H,1H2,2-4H3,(H2,10,11)/b8-6-
InChIKeyCCIQETLNGFWLHV-VURMDHGXSA-N
MW152.24 g/mol
LogP2.09
Rot. Bonds3

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

2-methyl-N'-[(2Z)-penta-2,4-dien-2-yl]propanimidamide (PubChem CID 89170024) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 2-methyl-N'-[(2Z)-penta-2,4-dien-2-yl]propanimidamide.

Molecular Properties

Compound Name2-methyl-N'-[(2Z)-penta-2,4-dien-2-yl]propanimidamide
PubChem CID89170024
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name2-methyl-N'-[(2Z)-penta-2,4-dien-2-yl]propanimidamide
SMILESC=C/C=C(C)\N=C(\N)C(C)C
InChIInChI=1S/C9H16N2/c1-5-6-8(4)11-9(10)7(2)3/h5-7H,1H2,2-4H3,(H2,10,11)/b8-6-
InChIKeyCCIQETLNGFWLHV-VURMDHGXSA-N
XLogP2.09
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.09
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 2-methyl-N'-[(2Z)-penta-2,4-dien-2-yl]propanimidamide?
The IUPAC name of 2-methyl-N'-[(2Z)-penta-2,4-dien-2-yl]propanimidamide (CID 89170024) is 2-methyl-N'-[(2Z)-penta-2,4-dien-2-yl]propanimidamide.
What is the SMILES notation for 2-methyl-N'-[(2Z)-penta-2,4-dien-2-yl]propanimidamide?
The canonical SMILES for 2-methyl-N'-[(2Z)-penta-2,4-dien-2-yl]propanimidamide is C=C/C=C(C)\N=C(\N)C(C)C.
What is the InChIKey of 2-methyl-N'-[(2Z)-penta-2,4-dien-2-yl]propanimidamide?
The InChIKey is CCIQETLNGFWLHV-VURMDHGXSA-N. The full InChI is InChI=1S/C9H16N2/c1-5-6-8(4)11-9(10)7(2)3/h5-7H,1H2,2-4H3,(H2,10,11)/b8-6-.
What are the key properties of 2-methyl-N'-[(2Z)-penta-2,4-dien-2-yl]propanimidamide?
2-methyl-N'-[(2Z)-penta-2,4-dien-2-yl]propanimidamide has a molecular weight of 152.24 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N'-[(2Z)-penta-2,4-dien-2-yl]propanimidamide is sourced from PubChem (CID 89170024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).