2-cyclohexylprop-2-enimidamide

C9H16N2 — CID 70500231

IUPAC2-cyclohexylprop-2-enimidamide
SMILES[H]/N=C(\N)C(=C)C1CCCCC1
InChIInChI=1S/C9H16N2/c1-7(9(10)11)8-5-3-2-4-6-8/h8H,1-6H2,(H3,10,11)
InChIKeyAPDQWBCXUFBHME-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.06
Rot. Bonds2

About 2-cyclohexylprop-2-enimidamide

2-cyclohexylprop-2-enimidamide (PubChem CID 70500231) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 2-cyclohexylprop-2-enimidamide.

Molecular Properties

Compound Name2-cyclohexylprop-2-enimidamide
PubChem CID70500231
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name2-cyclohexylprop-2-enimidamide
SMILES[H]/N=C(\N)C(=C)C1CCCCC1
InChIInChI=1S/C9H16N2/c1-7(9(10)11)8-5-3-2-4-6-8/h8H,1-6H2,(H3,10,11)
InChIKeyAPDQWBCXUFBHME-UHFFFAOYSA-N
XLogP2.06
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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-cyclohexylprop-2-enimidamide?
The IUPAC name of 2-cyclohexylprop-2-enimidamide (CID 70500231) is 2-cyclohexylprop-2-enimidamide.
What is the SMILES notation for 2-cyclohexylprop-2-enimidamide?
The canonical SMILES for 2-cyclohexylprop-2-enimidamide is [H]/N=C(\N)C(=C)C1CCCCC1.
What is the InChIKey of 2-cyclohexylprop-2-enimidamide?
The InChIKey is APDQWBCXUFBHME-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-7(9(10)11)8-5-3-2-4-6-8/h8H,1-6H2,(H3,10,11).
What are the key properties of 2-cyclohexylprop-2-enimidamide?
2-cyclohexylprop-2-enimidamide has a molecular weight of 152.24 g/mol, XLogP of 2.06, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylprop-2-enimidamide is sourced from PubChem (CID 70500231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).