2-piperidin-2-ylideneethanimidamide

C7H13N3 — CID 149359603

IUPAC2-piperidin-2-ylideneethanimidamide
SMILES[H]/N=C(\N)C=C1CCCCN1
InChIInChI=1S/C7H13N3/c8-7(9)5-6-3-1-2-4-10-6/h5,10H,1-4H2,(H3,8,9)
InChIKeyYHQLKHJGHZBTLA-UHFFFAOYSA-N
MW139.20 g/mol
LogP0.58
Rot. Bonds1

About 2-piperidin-2-ylideneethanimidamide

2-piperidin-2-ylideneethanimidamide (PubChem CID 149359603) has the molecular formula C7H13N3 and a molecular weight of 139.20 g/mol. Its IUPAC name is 2-piperidin-2-ylideneethanimidamide.

Molecular Properties

Compound Name2-piperidin-2-ylideneethanimidamide
PubChem CID149359603
Molecular FormulaC7H13N3
Molecular Weight139.20 g/mol
Exact Mass139.11
IUPAC Name2-piperidin-2-ylideneethanimidamide
SMILES[H]/N=C(\N)C=C1CCCCN1
InChIInChI=1S/C7H13N3/c8-7(9)5-6-3-1-2-4-10-6/h5,10H,1-4H2,(H3,8,9)
InChIKeyYHQLKHJGHZBTLA-UHFFFAOYSA-N
XLogP0.58
TPSA61.90 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.58
H-Bond Donors ≤ 53
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 2-piperidin-2-ylideneethanimidamide?
The IUPAC name of 2-piperidin-2-ylideneethanimidamide (CID 149359603) is 2-piperidin-2-ylideneethanimidamide.
What is the SMILES notation for 2-piperidin-2-ylideneethanimidamide?
The canonical SMILES for 2-piperidin-2-ylideneethanimidamide is [H]/N=C(\N)C=C1CCCCN1.
What is the InChIKey of 2-piperidin-2-ylideneethanimidamide?
The InChIKey is YHQLKHJGHZBTLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3/c8-7(9)5-6-3-1-2-4-10-6/h5,10H,1-4H2,(H3,8,9).
What are the key properties of 2-piperidin-2-ylideneethanimidamide?
2-piperidin-2-ylideneethanimidamide has a molecular weight of 139.20 g/mol, XLogP of 0.58, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-2-ylideneethanimidamide is sourced from PubChem (CID 149359603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).