3-(4-fluorocyclohexyl)propan-1-amine

C9H18FN — CID 84731480

IUPAC3-(4-fluorocyclohexyl)propan-1-amine
SMILESNCCCC1CCC(F)CC1
InChIInChI=1S/C9H18FN/c10-9-5-3-8(4-6-9)2-1-7-11/h8-9H,1-7,11H2
InChIKeyYWRHYIOSGGVTGP-UHFFFAOYSA-N
MW159.25 g/mol
LogP2.25
Rot. Bonds3

About 3-(4-fluorocyclohexyl)propan-1-amine

3-(4-fluorocyclohexyl)propan-1-amine (PubChem CID 84731480) has the molecular formula C9H18FN and a molecular weight of 159.25 g/mol. Its IUPAC name is 3-(4-fluorocyclohexyl)propan-1-amine.

Molecular Properties

Compound Name3-(4-fluorocyclohexyl)propan-1-amine
PubChem CID84731480
Molecular FormulaC9H18FN
Molecular Weight159.25 g/mol
Exact Mass159.14
IUPAC Name3-(4-fluorocyclohexyl)propan-1-amine
SMILESNCCCC1CCC(F)CC1
InChIInChI=1S/C9H18FN/c10-9-5-3-8(4-6-9)2-1-7-11/h8-9H,1-7,11H2
InChIKeyYWRHYIOSGGVTGP-UHFFFAOYSA-N
XLogP2.25
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.25
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorocyclohexyl)propan-1-amine?
The IUPAC name of 3-(4-fluorocyclohexyl)propan-1-amine (CID 84731480) is 3-(4-fluorocyclohexyl)propan-1-amine.
What is the SMILES notation for 3-(4-fluorocyclohexyl)propan-1-amine?
The canonical SMILES for 3-(4-fluorocyclohexyl)propan-1-amine is NCCCC1CCC(F)CC1.
What is the InChIKey of 3-(4-fluorocyclohexyl)propan-1-amine?
The InChIKey is YWRHYIOSGGVTGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FN/c10-9-5-3-8(4-6-9)2-1-7-11/h8-9H,1-7,11H2.
What are the key properties of 3-(4-fluorocyclohexyl)propan-1-amine?
3-(4-fluorocyclohexyl)propan-1-amine has a molecular weight of 159.25 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorocyclohexyl)propan-1-amine is sourced from PubChem (CID 84731480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).