N'-piperidin-1-ylmethanimidamide

C6H13N3 — CID 54213064

IUPACN'-piperidin-1-ylmethanimidamide
SMILESNC=NN1CCCCC1
InChIInChI=1S/C6H13N3/c7-6-8-9-4-2-1-3-5-9/h6H,1-5H2,(H2,7,8)
InChIKeyPXGVELYIISJUOT-UHFFFAOYSA-N
MW127.19 g/mol
LogP0.37
Rot. Bonds1

About N'-piperidin-1-ylmethanimidamide

N'-piperidin-1-ylmethanimidamide (PubChem CID 54213064) has the molecular formula C6H13N3 and a molecular weight of 127.19 g/mol. Its IUPAC name is N'-piperidin-1-ylmethanimidamide.

Molecular Properties

Compound NameN'-piperidin-1-ylmethanimidamide
PubChem CID54213064
Molecular FormulaC6H13N3
Molecular Weight127.19 g/mol
Exact Mass127.11
IUPAC NameN'-piperidin-1-ylmethanimidamide
SMILESNC=NN1CCCCC1
InChIInChI=1S/C6H13N3/c7-6-8-9-4-2-1-3-5-9/h6H,1-5H2,(H2,7,8)
InChIKeyPXGVELYIISJUOT-UHFFFAOYSA-N
XLogP0.37
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.37
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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Related Compounds

N,N'-di(piperidin-1-yl)propane-1,3-diimine
CID 89456098
N,N'-di(piperidin-1-yl)butane-1,4-diimine
CID 123634792
(E)-2,2-dimethyl-N-pyrrolidin-1-ylpropan-1-imine
CID 155476105
(Z)-1-(4-ethylphenyl)-N-piperidin-1-ylmethanimine
CID 45095239
4-(piperidin-1-yliminomethyl)benzonitrile
CID 2391650
1-nitrosoazepane
CID 13613
pyrrolidin-1-yldiazene
CID 18388243
4-[(Z)-piperidin-1-yliminomethyl]benzene-1,2-diol
CID 136915095
(E)-1-(1H-imidazol-5-yl)-N-piperidin-1-ylmethanimine
CID 137270615
4-[5-[(Z)-piperidin-1-yliminomethyl]furan-2-yl]benzenesulfonamide
CID 9217266
4-[(E)-piperidin-1-yliminomethyl]benzene-1,3-diol
CID 135684063
2,4-dibromo-6-(piperidin-1-yliminomethyl)phenol
CID 135709522

Frequently Asked Questions

What is the IUPAC name of N'-piperidin-1-ylmethanimidamide?
The IUPAC name of N'-piperidin-1-ylmethanimidamide (CID 54213064) is N'-piperidin-1-ylmethanimidamide.
What is the SMILES notation for N'-piperidin-1-ylmethanimidamide?
The canonical SMILES for N'-piperidin-1-ylmethanimidamide is NC=NN1CCCCC1.
What is the InChIKey of N'-piperidin-1-ylmethanimidamide?
The InChIKey is PXGVELYIISJUOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3/c7-6-8-9-4-2-1-3-5-9/h6H,1-5H2,(H2,7,8).
What are the key properties of N'-piperidin-1-ylmethanimidamide?
N'-piperidin-1-ylmethanimidamide has a molecular weight of 127.19 g/mol, XLogP of 0.37, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-piperidin-1-ylmethanimidamide is sourced from PubChem (CID 54213064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).