5-cyclohexylpyridine-2-carboximidamide;hydrochloride

C12H18ClN3 — CID 53485023

IUPAC5-cyclohexylpyridine-2-carboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1ccc(C2CCCCC2)cn1
InChIInChI=1S/C12H17N3.ClH/c13-12(14)11-7-6-10(8-15-11)9-4-2-1-3-5-9;/h6-9H,1-5H2,(H3,13,14);1H
InChIKeyFBRXNKCNXHIPRX-UHFFFAOYSA-N
MW239.75 g/mol
LogP2.84
Rot. Bonds2

About 5-cyclohexylpyridine-2-carboximidamide;hydrochloride

5-cyclohexylpyridine-2-carboximidamide;hydrochloride (PubChem CID 53485023) has the molecular formula C12H18ClN3 and a molecular weight of 239.75 g/mol. Its IUPAC name is 5-cyclohexylpyridine-2-carboximidamide;hydrochloride.

Molecular Properties

Compound Name5-cyclohexylpyridine-2-carboximidamide;hydrochloride
PubChem CID53485023
Molecular FormulaC12H18ClN3
Molecular Weight239.75 g/mol
Exact Mass239.12
IUPAC Name5-cyclohexylpyridine-2-carboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1ccc(C2CCCCC2)cn1
InChIInChI=1S/C12H17N3.ClH/c13-12(14)11-7-6-10(8-15-11)9-4-2-1-3-5-9;/h6-9H,1-5H2,(H3,13,14);1H
InChIKeyFBRXNKCNXHIPRX-UHFFFAOYSA-N
XLogP2.84
TPSA62.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 52.84
H-Bond Donors ≤ 52
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 5-cyclohexylpyridine-2-carboximidamide;hydrochloride?
The IUPAC name of 5-cyclohexylpyridine-2-carboximidamide;hydrochloride (CID 53485023) is 5-cyclohexylpyridine-2-carboximidamide;hydrochloride.
What is the SMILES notation for 5-cyclohexylpyridine-2-carboximidamide;hydrochloride?
The canonical SMILES for 5-cyclohexylpyridine-2-carboximidamide;hydrochloride is Cl.[H]/N=C(\N)c1ccc(C2CCCCC2)cn1.
What is the InChIKey of 5-cyclohexylpyridine-2-carboximidamide;hydrochloride?
The InChIKey is FBRXNKCNXHIPRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3.ClH/c13-12(14)11-7-6-10(8-15-11)9-4-2-1-3-5-9;/h6-9H,1-5H2,(H3,13,14);1H.
What are the key properties of 5-cyclohexylpyridine-2-carboximidamide;hydrochloride?
5-cyclohexylpyridine-2-carboximidamide;hydrochloride has a molecular weight of 239.75 g/mol, XLogP of 2.84, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexylpyridine-2-carboximidamide;hydrochloride is sourced from PubChem (CID 53485023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).