N-(cyclohexylmethyl)-2-fluoroethanamine

C9H18FN — CID 11240644

IUPACN-(cyclohexylmethyl)-2-fluoroethanamine
SMILESFCCNCC1CCCCC1
InChIInChI=1S/C9H18FN/c10-6-7-11-8-9-4-2-1-3-5-9/h9,11H,1-8H2
InChIKeyHZUXLZXCVYSNQY-UHFFFAOYSA-N
MW159.25 g/mol
LogP2.13
Rot. Bonds4

About N-(cyclohexylmethyl)-2-fluoroethanamine

N-(cyclohexylmethyl)-2-fluoroethanamine (PubChem CID 11240644) has the molecular formula C9H18FN and a molecular weight of 159.25 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-2-fluoroethanamine.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-2-fluoroethanamine
PubChem CID11240644
Molecular FormulaC9H18FN
Molecular Weight159.25 g/mol
Exact Mass159.14
IUPAC NameN-(cyclohexylmethyl)-2-fluoroethanamine
SMILESFCCNCC1CCCCC1
InChIInChI=1S/C9H18FN/c10-6-7-11-8-9-4-2-1-3-5-9/h9,11H,1-8H2
InChIKeyHZUXLZXCVYSNQY-UHFFFAOYSA-N
XLogP2.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.25
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-2-fluoroethanamine?
The IUPAC name of N-(cyclohexylmethyl)-2-fluoroethanamine (CID 11240644) is N-(cyclohexylmethyl)-2-fluoroethanamine.
What is the SMILES notation for N-(cyclohexylmethyl)-2-fluoroethanamine?
The canonical SMILES for N-(cyclohexylmethyl)-2-fluoroethanamine is FCCNCC1CCCCC1.
What is the InChIKey of N-(cyclohexylmethyl)-2-fluoroethanamine?
The InChIKey is HZUXLZXCVYSNQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FN/c10-6-7-11-8-9-4-2-1-3-5-9/h9,11H,1-8H2.
What are the key properties of N-(cyclohexylmethyl)-2-fluoroethanamine?
N-(cyclohexylmethyl)-2-fluoroethanamine has a molecular weight of 159.25 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-2-fluoroethanamine is sourced from PubChem (CID 11240644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).