N'-piperidin-4-yl-N-[(E)-prop-1-enyl]methanimidamide

C9H17N3 — CID 118489951

IUPACN'-piperidin-4-yl-N-[(E)-prop-1-enyl]methanimidamide
SMILESC/C=C/N/C=N/C1CCNCC1
InChIInChI=1S/C9H17N3/c1-2-5-11-8-12-9-3-6-10-7-4-9/h2,5,8-10H,3-4,6-7H2,1H3,(H,11,12)/b5-2+
InChIKeyLXULWJBOVVBNBO-GORDUTHDSA-N
MW167.26 g/mol
LogP0.89
Rot. Bonds3

About N'-piperidin-4-yl-N-[(E)-prop-1-enyl]methanimidamide

N'-piperidin-4-yl-N-[(E)-prop-1-enyl]methanimidamide (PubChem CID 118489951) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is N'-piperidin-4-yl-N-[(E)-prop-1-enyl]methanimidamide.

Molecular Properties

Compound NameN'-piperidin-4-yl-N-[(E)-prop-1-enyl]methanimidamide
PubChem CID118489951
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC NameN'-piperidin-4-yl-N-[(E)-prop-1-enyl]methanimidamide
SMILESC/C=C/N/C=N/C1CCNCC1
InChIInChI=1S/C9H17N3/c1-2-5-11-8-12-9-3-6-10-7-4-9/h2,5,8-10H,3-4,6-7H2,1H3,(H,11,12)/b5-2+
InChIKeyLXULWJBOVVBNBO-GORDUTHDSA-N
XLogP0.89
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 50.89
H-Bond Donors ≤ 52
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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Related Compounds

CID 91502205
CID 91502205
CID 118489955
CID 118489955
CID 141866281
CID 141866281
CID 143126502
CID 143126502
CID 143219764
CID 143219764
CID 144056664
CID 144056664
CID 144144868
CID 144144868
CID 144519605
CID 144519605
CID 169693949
CID 169693949
CID 178746477
CID 178746477
CID 143126503
CID 143126503
CID 144144869
CID 144144869

Frequently Asked Questions

What is the IUPAC name of N'-piperidin-4-yl-N-[(E)-prop-1-enyl]methanimidamide?
The IUPAC name of N'-piperidin-4-yl-N-[(E)-prop-1-enyl]methanimidamide (CID 118489951) is N'-piperidin-4-yl-N-[(E)-prop-1-enyl]methanimidamide.
What is the SMILES notation for N'-piperidin-4-yl-N-[(E)-prop-1-enyl]methanimidamide?
The canonical SMILES for N'-piperidin-4-yl-N-[(E)-prop-1-enyl]methanimidamide is C/C=C/N/C=N/C1CCNCC1.
What is the InChIKey of N'-piperidin-4-yl-N-[(E)-prop-1-enyl]methanimidamide?
The InChIKey is LXULWJBOVVBNBO-GORDUTHDSA-N. The full InChI is InChI=1S/C9H17N3/c1-2-5-11-8-12-9-3-6-10-7-4-9/h2,5,8-10H,3-4,6-7H2,1H3,(H,11,12)/b5-2+.
What are the key properties of N'-piperidin-4-yl-N-[(E)-prop-1-enyl]methanimidamide?
N'-piperidin-4-yl-N-[(E)-prop-1-enyl]methanimidamide has a molecular weight of 167.26 g/mol, XLogP of 0.89, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-piperidin-4-yl-N-[(E)-prop-1-enyl]methanimidamide is sourced from PubChem (CID 118489951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).