4-(cyclohexylmethyl)-4-fluoro-5-methoxypentan-1-amine

C13H26FNO — CID 103392519

IUPAC4-(cyclohexylmethyl)-4-fluoro-5-methoxypentan-1-amine
SMILESCOCC(F)(CCCN)CC1CCCCC1
InChIInChI=1S/C13H26FNO/c1-16-11-13(14,8-5-9-15)10-12-6-3-2-4-7-12/h12H,2-11,15H2,1H3
InChIKeyJVADDBSZIRMRLR-UHFFFAOYSA-N
MW231.35 g/mol
LogP3.05
Rot. Bonds7

About 4-(cyclohexylmethyl)-4-fluoro-5-methoxypentan-1-amine

4-(cyclohexylmethyl)-4-fluoro-5-methoxypentan-1-amine (PubChem CID 103392519) has the molecular formula C13H26FNO and a molecular weight of 231.35 g/mol. Its IUPAC name is 4-(cyclohexylmethyl)-4-fluoro-5-methoxypentan-1-amine.

Molecular Properties

Compound Name4-(cyclohexylmethyl)-4-fluoro-5-methoxypentan-1-amine
PubChem CID103392519
Molecular FormulaC13H26FNO
Molecular Weight231.35 g/mol
Exact Mass231.20
IUPAC Name4-(cyclohexylmethyl)-4-fluoro-5-methoxypentan-1-amine
SMILESCOCC(F)(CCCN)CC1CCCCC1
InChIInChI=1S/C13H26FNO/c1-16-11-13(14,8-5-9-15)10-12-6-3-2-4-7-12/h12H,2-11,15H2,1H3
InChIKeyJVADDBSZIRMRLR-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

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylmethyl)-4-fluoro-5-methoxypentan-1-amine?
The IUPAC name of 4-(cyclohexylmethyl)-4-fluoro-5-methoxypentan-1-amine (CID 103392519) is 4-(cyclohexylmethyl)-4-fluoro-5-methoxypentan-1-amine.
What is the SMILES notation for 4-(cyclohexylmethyl)-4-fluoro-5-methoxypentan-1-amine?
The canonical SMILES for 4-(cyclohexylmethyl)-4-fluoro-5-methoxypentan-1-amine is COCC(F)(CCCN)CC1CCCCC1.
What is the InChIKey of 4-(cyclohexylmethyl)-4-fluoro-5-methoxypentan-1-amine?
The InChIKey is JVADDBSZIRMRLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26FNO/c1-16-11-13(14,8-5-9-15)10-12-6-3-2-4-7-12/h12H,2-11,15H2,1H3.
What are the key properties of 4-(cyclohexylmethyl)-4-fluoro-5-methoxypentan-1-amine?
4-(cyclohexylmethyl)-4-fluoro-5-methoxypentan-1-amine 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 4-(cyclohexylmethyl)-4-fluoro-5-methoxypentan-1-amine is sourced from PubChem (CID 103392519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).