N-methylidene-N'-[(Z)-prop-1-enyl]piperazine-1-carboximidamide

C9H16N4 — CID 129253175

IUPACN-methylidene-N'-[(Z)-prop-1-enyl]piperazine-1-carboximidamide
SMILESC=N/C(=N\C=C/C)N1CCNCC1
InChIInChI=1S/C9H16N4/c1-3-4-12-9(10-2)13-7-5-11-6-8-13/h3-4,11H,2,5-8H2,1H3/b4-3-,12-9+
InChIKeyUCJSUFRGNHGYFT-CVTZKADISA-N
MW180.25 g/mol
LogP0.48
Rot. Bonds1

About N-methylidene-N'-[(Z)-prop-1-enyl]piperazine-1-carboximidamide

N-methylidene-N'-[(Z)-prop-1-enyl]piperazine-1-carboximidamide (PubChem CID 129253175) has the molecular formula C9H16N4 and a molecular weight of 180.25 g/mol. Its IUPAC name is N-methylidene-N'-[(Z)-prop-1-enyl]piperazine-1-carboximidamide.

Molecular Properties

Compound NameN-methylidene-N'-[(Z)-prop-1-enyl]piperazine-1-carboximidamide
PubChem CID129253175
Molecular FormulaC9H16N4
Molecular Weight180.25 g/mol
Exact Mass180.14
IUPAC NameN-methylidene-N'-[(Z)-prop-1-enyl]piperazine-1-carboximidamide
SMILESC=N/C(=N\C=C/C)N1CCNCC1
InChIInChI=1S/C9H16N4/c1-3-4-12-9(10-2)13-7-5-11-6-8-13/h3-4,11H,2,5-8H2,1H3/b4-3-,12-9+
InChIKeyUCJSUFRGNHGYFT-CVTZKADISA-N
XLogP0.48
TPSA39.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-methylidene-N'-[(Z)-prop-1-enyl]piperazine-1-carboximidamide?
The IUPAC name of N-methylidene-N'-[(Z)-prop-1-enyl]piperazine-1-carboximidamide (CID 129253175) is N-methylidene-N'-[(Z)-prop-1-enyl]piperazine-1-carboximidamide.
What is the SMILES notation for N-methylidene-N'-[(Z)-prop-1-enyl]piperazine-1-carboximidamide?
The canonical SMILES for N-methylidene-N'-[(Z)-prop-1-enyl]piperazine-1-carboximidamide is C=N/C(=N\C=C/C)N1CCNCC1.
What is the InChIKey of N-methylidene-N'-[(Z)-prop-1-enyl]piperazine-1-carboximidamide?
The InChIKey is UCJSUFRGNHGYFT-CVTZKADISA-N. The full InChI is InChI=1S/C9H16N4/c1-3-4-12-9(10-2)13-7-5-11-6-8-13/h3-4,11H,2,5-8H2,1H3/b4-3-,12-9+.
What are the key properties of N-methylidene-N'-[(Z)-prop-1-enyl]piperazine-1-carboximidamide?
N-methylidene-N'-[(Z)-prop-1-enyl]piperazine-1-carboximidamide has a molecular weight of 180.25 g/mol, XLogP of 0.48, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylidene-N'-[(Z)-prop-1-enyl]piperazine-1-carboximidamide is sourced from PubChem (CID 129253175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).