(cyclohexylamino)azanium chloride

C6H15ClN2 — CID 11252106

IUPAC(cyclohexylamino)azanium chloride
SMILES[Cl-].[NH3+]NC1CCCCC1
InChIInChI=1S/C6H14N2.ClH/c7-8-6-4-2-1-3-5-6;/h6,8H,1-5,7H2;1H
InChIKeyJZRHODNPRNTXKO-UHFFFAOYSA-N
MW150.65 g/mol
LogP-2.93
Rot. Bonds1

About (cyclohexylamino)azanium chloride

(cyclohexylamino)azanium chloride (PubChem CID 11252106) has the molecular formula C6H15ClN2 and a molecular weight of 150.65 g/mol. Its IUPAC name is (cyclohexylamino)azanium chloride.

Molecular Properties

Compound Name(cyclohexylamino)azanium chloride
PubChem CID11252106
Molecular FormulaC6H15ClN2
Molecular Weight150.65 g/mol
Exact Mass150.09
IUPAC Name(cyclohexylamino)azanium chloride
SMILES[Cl-].[NH3+]NC1CCCCC1
InChIInChI=1S/C6H14N2.ClH/c7-8-6-4-2-1-3-5-6;/h6,8H,1-5,7H2;1H
InChIKeyJZRHODNPRNTXKO-UHFFFAOYSA-N
XLogP-2.93
TPSA39.67 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.65
LogP ≤ 5-2.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (cyclohexylamino)azanium chloride?
The IUPAC name of (cyclohexylamino)azanium chloride (CID 11252106) is (cyclohexylamino)azanium chloride.
What is the SMILES notation for (cyclohexylamino)azanium chloride?
The canonical SMILES for (cyclohexylamino)azanium chloride is [Cl-].[NH3+]NC1CCCCC1.
What is the InChIKey of (cyclohexylamino)azanium chloride?
The InChIKey is JZRHODNPRNTXKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2.ClH/c7-8-6-4-2-1-3-5-6;/h6,8H,1-5,7H2;1H.
What are the key properties of (cyclohexylamino)azanium chloride?
(cyclohexylamino)azanium chloride has a molecular weight of 150.65 g/mol, XLogP of -2.93, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (cyclohexylamino)azanium chloride is sourced from PubChem (CID 11252106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).