N'-[(E)-pent-2-en-3-yl]propanimidamide

C8H16N2 — CID 167121430

IUPACN'-[(E)-pent-2-en-3-yl]propanimidamide
SMILESC/C=C(CC)/N=C(/N)CC
InChIInChI=1S/C8H16N2/c1-4-7(5-2)10-8(9)6-3/h4H,5-6H2,1-3H3,(H2,9,10)/b7-4+
InChIKeySUNXBXOMTVEMRP-QPJJXVBHSA-N
MW140.23 g/mol
LogP2.07
Rot. Bonds3

About N'-[(E)-pent-2-en-3-yl]propanimidamide

N'-[(E)-pent-2-en-3-yl]propanimidamide (PubChem CID 167121430) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is N'-[(E)-pent-2-en-3-yl]propanimidamide.

Molecular Properties

Compound NameN'-[(E)-pent-2-en-3-yl]propanimidamide
PubChem CID167121430
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC NameN'-[(E)-pent-2-en-3-yl]propanimidamide
SMILESC/C=C(CC)/N=C(/N)CC
InChIInChI=1S/C8H16N2/c1-4-7(5-2)10-8(9)6-3/h4H,5-6H2,1-3H3,(H2,9,10)/b7-4+
InChIKeySUNXBXOMTVEMRP-QPJJXVBHSA-N
XLogP2.07
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 52.07
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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Frequently Asked Questions

What is the IUPAC name of N'-[(E)-pent-2-en-3-yl]propanimidamide?
The IUPAC name of N'-[(E)-pent-2-en-3-yl]propanimidamide (CID 167121430) is N'-[(E)-pent-2-en-3-yl]propanimidamide.
What is the SMILES notation for N'-[(E)-pent-2-en-3-yl]propanimidamide?
The canonical SMILES for N'-[(E)-pent-2-en-3-yl]propanimidamide is C/C=C(CC)/N=C(/N)CC.
What is the InChIKey of N'-[(E)-pent-2-en-3-yl]propanimidamide?
The InChIKey is SUNXBXOMTVEMRP-QPJJXVBHSA-N. The full InChI is InChI=1S/C8H16N2/c1-4-7(5-2)10-8(9)6-3/h4H,5-6H2,1-3H3,(H2,9,10)/b7-4+.
What are the key properties of N'-[(E)-pent-2-en-3-yl]propanimidamide?
N'-[(E)-pent-2-en-3-yl]propanimidamide has a molecular weight of 140.23 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-pent-2-en-3-yl]propanimidamide is sourced from PubChem (CID 167121430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).