4-[(3-amino-1-fluorocyclohexyl)methyl]pyridin-2-amine

C12H18FN3 — CID 112567457

IUPAC4-[(3-amino-1-fluorocyclohexyl)methyl]pyridin-2-amine
SMILESNc1cc(CC2(F)CCCC(N)C2)ccn1
InChIInChI=1S/C12H18FN3/c13-12(4-1-2-10(14)8-12)7-9-3-5-16-11(15)6-9/h3,5-6,10H,1-2,4,7-8,14H2,(H2,15,16)
InChIKeyQAAACTHKFFGWFS-UHFFFAOYSA-N
MW223.29 g/mol
LogP1.82
Rot. Bonds2

About 4-[(3-amino-1-fluorocyclohexyl)methyl]pyridin-2-amine

4-[(3-amino-1-fluorocyclohexyl)methyl]pyridin-2-amine (PubChem CID 112567457) has the molecular formula C12H18FN3 and a molecular weight of 223.29 g/mol. Its IUPAC name is 4-[(3-amino-1-fluorocyclohexyl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name4-[(3-amino-1-fluorocyclohexyl)methyl]pyridin-2-amine
PubChem CID112567457
Molecular FormulaC12H18FN3
Molecular Weight223.29 g/mol
Exact Mass223.15
IUPAC Name4-[(3-amino-1-fluorocyclohexyl)methyl]pyridin-2-amine
SMILESNc1cc(CC2(F)CCCC(N)C2)ccn1
InChIInChI=1S/C12H18FN3/c13-12(4-1-2-10(14)8-12)7-9-3-5-16-11(15)6-9/h3,5-6,10H,1-2,4,7-8,14H2,(H2,15,16)
InChIKeyQAAACTHKFFGWFS-UHFFFAOYSA-N
XLogP1.82
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-amino-1-fluorocyclohexyl)methyl]pyridin-2-amine?
The IUPAC name of 4-[(3-amino-1-fluorocyclohexyl)methyl]pyridin-2-amine (CID 112567457) is 4-[(3-amino-1-fluorocyclohexyl)methyl]pyridin-2-amine.
What is the SMILES notation for 4-[(3-amino-1-fluorocyclohexyl)methyl]pyridin-2-amine?
The canonical SMILES for 4-[(3-amino-1-fluorocyclohexyl)methyl]pyridin-2-amine is Nc1cc(CC2(F)CCCC(N)C2)ccn1.
What is the InChIKey of 4-[(3-amino-1-fluorocyclohexyl)methyl]pyridin-2-amine?
The InChIKey is QAAACTHKFFGWFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN3/c13-12(4-1-2-10(14)8-12)7-9-3-5-16-11(15)6-9/h3,5-6,10H,1-2,4,7-8,14H2,(H2,15,16).
What are the key properties of 4-[(3-amino-1-fluorocyclohexyl)methyl]pyridin-2-amine?
4-[(3-amino-1-fluorocyclohexyl)methyl]pyridin-2-amine has a molecular weight of 223.29 g/mol, XLogP of 1.82, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-amino-1-fluorocyclohexyl)methyl]pyridin-2-amine is sourced from PubChem (CID 112567457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).