2-chloro-2-cyclohexylethanamine

C8H16ClN — CID 57190122

IUPAC2-chloro-2-cyclohexylethanamine
SMILESNCC(Cl)C1CCCCC1
InChIInChI=1S/C8H16ClN/c9-8(6-10)7-4-2-1-3-5-7/h7-8H,1-6,10H2
InChIKeyMUYBHEUWIZIODY-UHFFFAOYSA-N
MW161.68 g/mol
LogP2.13
Rot. Bonds2

About 2-chloro-2-cyclohexylethanamine

2-chloro-2-cyclohexylethanamine (PubChem CID 57190122) has the molecular formula C8H16ClN and a molecular weight of 161.68 g/mol. Its IUPAC name is 2-chloro-2-cyclohexylethanamine.

Molecular Properties

Compound Name2-chloro-2-cyclohexylethanamine
PubChem CID57190122
Molecular FormulaC8H16ClN
Molecular Weight161.68 g/mol
Exact Mass161.10
IUPAC Name2-chloro-2-cyclohexylethanamine
SMILESNCC(Cl)C1CCCCC1
InChIInChI=1S/C8H16ClN/c9-8(6-10)7-4-2-1-3-5-7/h7-8H,1-6,10H2
InChIKeyMUYBHEUWIZIODY-UHFFFAOYSA-N
XLogP2.13
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.68
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-2-cyclohexylethanamine?
The IUPAC name of 2-chloro-2-cyclohexylethanamine (CID 57190122) is 2-chloro-2-cyclohexylethanamine.
What is the SMILES notation for 2-chloro-2-cyclohexylethanamine?
The canonical SMILES for 2-chloro-2-cyclohexylethanamine is NCC(Cl)C1CCCCC1.
What is the InChIKey of 2-chloro-2-cyclohexylethanamine?
The InChIKey is MUYBHEUWIZIODY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16ClN/c9-8(6-10)7-4-2-1-3-5-7/h7-8H,1-6,10H2.
What are the key properties of 2-chloro-2-cyclohexylethanamine?
2-chloro-2-cyclohexylethanamine has a molecular weight of 161.68 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2-cyclohexylethanamine is sourced from PubChem (CID 57190122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).