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

C12H18FN3 — CID 112562418

IUPAC3-[(4-amino-1-fluorocyclohexyl)methyl]pyridin-2-amine
SMILESNc1ncccc1CC1(F)CCC(N)CC1
InChIInChI=1S/C12H18FN3/c13-12(5-3-10(14)4-6-12)8-9-2-1-7-16-11(9)15/h1-2,7,10H,3-6,8,14H2,(H2,15,16)
InChIKeyAIUOVPFTEAYFDM-UHFFFAOYSA-N
MW223.29 g/mol
LogP1.82
Rot. Bonds2

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

3-[(4-amino-1-fluorocyclohexyl)methyl]pyridin-2-amine (PubChem CID 112562418) has the molecular formula C12H18FN3 and a molecular weight of 223.29 g/mol. Its IUPAC name is 3-[(4-amino-1-fluorocyclohexyl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name3-[(4-amino-1-fluorocyclohexyl)methyl]pyridin-2-amine
PubChem CID112562418
Molecular FormulaC12H18FN3
Molecular Weight223.29 g/mol
Exact Mass223.15
IUPAC Name3-[(4-amino-1-fluorocyclohexyl)methyl]pyridin-2-amine
SMILESNc1ncccc1CC1(F)CCC(N)CC1
InChIInChI=1S/C12H18FN3/c13-12(5-3-10(14)4-6-12)8-9-2-1-7-16-11(9)15/h1-2,7,10H,3-6,8,14H2,(H2,15,16)
InChIKeyAIUOVPFTEAYFDM-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 3-[(4-amino-1-fluorocyclohexyl)methyl]pyridin-2-amine?
The IUPAC name of 3-[(4-amino-1-fluorocyclohexyl)methyl]pyridin-2-amine (CID 112562418) is 3-[(4-amino-1-fluorocyclohexyl)methyl]pyridin-2-amine.
What is the SMILES notation for 3-[(4-amino-1-fluorocyclohexyl)methyl]pyridin-2-amine?
The canonical SMILES for 3-[(4-amino-1-fluorocyclohexyl)methyl]pyridin-2-amine is Nc1ncccc1CC1(F)CCC(N)CC1.
What is the InChIKey of 3-[(4-amino-1-fluorocyclohexyl)methyl]pyridin-2-amine?
The InChIKey is AIUOVPFTEAYFDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN3/c13-12(5-3-10(14)4-6-12)8-9-2-1-7-16-11(9)15/h1-2,7,10H,3-6,8,14H2,(H2,15,16).
What are the key properties of 3-[(4-amino-1-fluorocyclohexyl)methyl]pyridin-2-amine?
3-[(4-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 3-[(4-amino-1-fluorocyclohexyl)methyl]pyridin-2-amine is sourced from PubChem (CID 112562418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).