[1-(3-fluoropropoxy)-4-propylcyclohexyl]methanamine

C13H26FNO — CID 81105337

IUPAC[1-(3-fluoropropoxy)-4-propylcyclohexyl]methanamine
SMILESCCCC1CCC(CN)(OCCCF)CC1
InChIInChI=1S/C13H26FNO/c1-2-4-12-5-7-13(11-15,8-6-12)16-10-3-9-14/h12H,2-11,15H2,1H3
InChIKeyFLISBWZXHSHTTF-UHFFFAOYSA-N
MW231.35 g/mol
LogP3.05
Rot. Bonds7

About [1-(3-fluoropropoxy)-4-propylcyclohexyl]methanamine

[1-(3-fluoropropoxy)-4-propylcyclohexyl]methanamine (PubChem CID 81105337) has the molecular formula C13H26FNO and a molecular weight of 231.35 g/mol. Its IUPAC name is [1-(3-fluoropropoxy)-4-propylcyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(3-fluoropropoxy)-4-propylcyclohexyl]methanamine
PubChem CID81105337
Molecular FormulaC13H26FNO
Molecular Weight231.35 g/mol
Exact Mass231.20
IUPAC Name[1-(3-fluoropropoxy)-4-propylcyclohexyl]methanamine
SMILESCCCC1CCC(CN)(OCCCF)CC1
InChIInChI=1S/C13H26FNO/c1-2-4-12-5-7-13(11-15,8-6-12)16-10-3-9-14/h12H,2-11,15H2,1H3
InChIKeyFLISBWZXHSHTTF-UHFFFAOYSA-N
XLogP3.05
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.35
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 [1-(3-fluoropropoxy)-4-propylcyclohexyl]methanamine?
The IUPAC name of [1-(3-fluoropropoxy)-4-propylcyclohexyl]methanamine (CID 81105337) is [1-(3-fluoropropoxy)-4-propylcyclohexyl]methanamine.
What is the SMILES notation for [1-(3-fluoropropoxy)-4-propylcyclohexyl]methanamine?
The canonical SMILES for [1-(3-fluoropropoxy)-4-propylcyclohexyl]methanamine is CCCC1CCC(CN)(OCCCF)CC1.
What is the InChIKey of [1-(3-fluoropropoxy)-4-propylcyclohexyl]methanamine?
The InChIKey is FLISBWZXHSHTTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26FNO/c1-2-4-12-5-7-13(11-15,8-6-12)16-10-3-9-14/h12H,2-11,15H2,1H3.
What are the key properties of [1-(3-fluoropropoxy)-4-propylcyclohexyl]methanamine?
[1-(3-fluoropropoxy)-4-propylcyclohexyl]methanamine has a molecular weight of 231.35 g/mol, XLogP of 3.05, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-fluoropropoxy)-4-propylcyclohexyl]methanamine is sourced from PubChem (CID 81105337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).