N'-prop-2-enylbutanimidamide

C7H14N2 — CID 126992646

IUPACN'-prop-2-enylbutanimidamide
SMILESC=CC/N=C(/N)CCC
InChIInChI=1S/C7H14N2/c1-3-5-7(8)9-6-4-2/h4H,2-3,5-6H2,1H3,(H2,8,9)
InChIKeyXHQXCKWPYMCTDP-UHFFFAOYSA-N
MW126.20 g/mol
LogP1.33
Rot. Bonds4

About N'-prop-2-enylbutanimidamide

N'-prop-2-enylbutanimidamide (PubChem CID 126992646) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is N'-prop-2-enylbutanimidamide.

Molecular Properties

Compound NameN'-prop-2-enylbutanimidamide
PubChem CID126992646
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC NameN'-prop-2-enylbutanimidamide
SMILESC=CC/N=C(/N)CCC
InChIInChI=1S/C7H14N2/c1-3-5-7(8)9-6-4-2/h4H,2-3,5-6H2,1H3,(H2,8,9)
InChIKeyXHQXCKWPYMCTDP-UHFFFAOYSA-N
XLogP1.33
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.33
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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-prop-2-enylbutanimidamide?
The IUPAC name of N'-prop-2-enylbutanimidamide (CID 126992646) is N'-prop-2-enylbutanimidamide.
What is the SMILES notation for N'-prop-2-enylbutanimidamide?
The canonical SMILES for N'-prop-2-enylbutanimidamide is C=CC/N=C(/N)CCC.
What is the InChIKey of N'-prop-2-enylbutanimidamide?
The InChIKey is XHQXCKWPYMCTDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2/c1-3-5-7(8)9-6-4-2/h4H,2-3,5-6H2,1H3,(H2,8,9).
What are the key properties of N'-prop-2-enylbutanimidamide?
N'-prop-2-enylbutanimidamide has a molecular weight of 126.20 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-prop-2-enylbutanimidamide is sourced from PubChem (CID 126992646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).