N-amino-N'-cyclohexylpropanimidamide

C9H19N3 — CID 61363512

IUPACN-amino-N'-cyclohexylpropanimidamide
SMILESCC/C(=N\C1CCCCC1)NN
InChIInChI=1S/C9H19N3/c1-2-9(12-10)11-8-6-4-3-5-7-8/h8H,2-7,10H2,1H3,(H,11,12)
InChIKeyAEBREKAVAGFYPH-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.59
Rot. Bonds2

About N-amino-N'-cyclohexylpropanimidamide

N-amino-N'-cyclohexylpropanimidamide (PubChem CID 61363512) has the molecular formula C9H19N3 and a molecular weight of 169.27 g/mol. Its IUPAC name is N-amino-N'-cyclohexylpropanimidamide.

Molecular Properties

Compound NameN-amino-N'-cyclohexylpropanimidamide
PubChem CID61363512
Molecular FormulaC9H19N3
Molecular Weight169.27 g/mol
Exact Mass169.16
IUPAC NameN-amino-N'-cyclohexylpropanimidamide
SMILESCC/C(=N\C1CCCCC1)NN
InChIInChI=1S/C9H19N3/c1-2-9(12-10)11-8-6-4-3-5-7-8/h8H,2-7,10H2,1H3,(H,11,12)
InChIKeyAEBREKAVAGFYPH-UHFFFAOYSA-N
XLogP1.59
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-amino-N'-cyclohexylpropanimidamide?
The IUPAC name of N-amino-N'-cyclohexylpropanimidamide (CID 61363512) is N-amino-N'-cyclohexylpropanimidamide.
What is the SMILES notation for N-amino-N'-cyclohexylpropanimidamide?
The canonical SMILES for N-amino-N'-cyclohexylpropanimidamide is CC/C(=N\C1CCCCC1)NN.
What is the InChIKey of N-amino-N'-cyclohexylpropanimidamide?
The InChIKey is AEBREKAVAGFYPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3/c1-2-9(12-10)11-8-6-4-3-5-7-8/h8H,2-7,10H2,1H3,(H,11,12).
What are the key properties of N-amino-N'-cyclohexylpropanimidamide?
N-amino-N'-cyclohexylpropanimidamide has a molecular weight of 169.27 g/mol, XLogP of 1.59, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N'-cyclohexylpropanimidamide is sourced from PubChem (CID 61363512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).