N,N'-diamino-2-(1-methylpiperidin-4-yl)ethanimidamide

C8H19N5 — CID 135220152

IUPACN,N'-diamino-2-(1-methylpiperidin-4-yl)ethanimidamide
SMILESCN1CCC(C/C(=N/N)NN)CC1
InChIInChI=1S/C8H19N5/c1-13-4-2-7(3-5-13)6-8(11-9)12-10/h7H,2-6,9-10H2,1H3,(H,11,12)
InChIKeyCJUFXLWJFMJDLE-UHFFFAOYSA-N
MW185.27 g/mol
LogP-0.55
Rot. Bonds2

About N,N'-diamino-2-(1-methylpiperidin-4-yl)ethanimidamide

N,N'-diamino-2-(1-methylpiperidin-4-yl)ethanimidamide (PubChem CID 135220152) has the molecular formula C8H19N5 and a molecular weight of 185.27 g/mol. Its IUPAC name is N,N'-diamino-2-(1-methylpiperidin-4-yl)ethanimidamide.

Molecular Properties

Compound NameN,N'-diamino-2-(1-methylpiperidin-4-yl)ethanimidamide
PubChem CID135220152
Molecular FormulaC8H19N5
Molecular Weight185.27 g/mol
Exact Mass185.16
IUPAC NameN,N'-diamino-2-(1-methylpiperidin-4-yl)ethanimidamide
SMILESCN1CCC(C/C(=N/N)NN)CC1
InChIInChI=1S/C8H19N5/c1-13-4-2-7(3-5-13)6-8(11-9)12-10/h7H,2-6,9-10H2,1H3,(H,11,12)
InChIKeyCJUFXLWJFMJDLE-UHFFFAOYSA-N
XLogP-0.55
TPSA79.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 5-0.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N'-diamino-2-(1-methylpiperidin-4-yl)ethanimidamide?
The IUPAC name of N,N'-diamino-2-(1-methylpiperidin-4-yl)ethanimidamide (CID 135220152) is N,N'-diamino-2-(1-methylpiperidin-4-yl)ethanimidamide.
What is the SMILES notation for N,N'-diamino-2-(1-methylpiperidin-4-yl)ethanimidamide?
The canonical SMILES for N,N'-diamino-2-(1-methylpiperidin-4-yl)ethanimidamide is CN1CCC(C/C(=N/N)NN)CC1.
What is the InChIKey of N,N'-diamino-2-(1-methylpiperidin-4-yl)ethanimidamide?
The InChIKey is CJUFXLWJFMJDLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N5/c1-13-4-2-7(3-5-13)6-8(11-9)12-10/h7H,2-6,9-10H2,1H3,(H,11,12).
What are the key properties of N,N'-diamino-2-(1-methylpiperidin-4-yl)ethanimidamide?
N,N'-diamino-2-(1-methylpiperidin-4-yl)ethanimidamide has a molecular weight of 185.27 g/mol, XLogP of -0.55, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-diamino-2-(1-methylpiperidin-4-yl)ethanimidamide is sourced from PubChem (CID 135220152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).