N-[(4-aminocyclohexyl)methyl]-5-fluoropyridin-2-amine

C12H18FN3 — CID 106128725

IUPACN-[(4-aminocyclohexyl)methyl]-5-fluoropyridin-2-amine
SMILESNC1CCC(CNc2ccc(F)cn2)CC1
InChIInChI=1S/C12H18FN3/c13-10-3-6-12(16-8-10)15-7-9-1-4-11(14)5-2-9/h3,6,8-9,11H,1-2,4-5,7,14H2,(H,15,16)
InChIKeyWEBLRRULWQWNFI-UHFFFAOYSA-N
MW223.29 g/mol
LogP2.15
Rot. Bonds3

About N-[(4-aminocyclohexyl)methyl]-5-fluoropyridin-2-amine

N-[(4-aminocyclohexyl)methyl]-5-fluoropyridin-2-amine (PubChem CID 106128725) has the molecular formula C12H18FN3 and a molecular weight of 223.29 g/mol. Its IUPAC name is N-[(4-aminocyclohexyl)methyl]-5-fluoropyridin-2-amine.

Molecular Properties

Compound NameN-[(4-aminocyclohexyl)methyl]-5-fluoropyridin-2-amine
PubChem CID106128725
Molecular FormulaC12H18FN3
Molecular Weight223.29 g/mol
Exact Mass223.15
IUPAC NameN-[(4-aminocyclohexyl)methyl]-5-fluoropyridin-2-amine
SMILESNC1CCC(CNc2ccc(F)cn2)CC1
InChIInChI=1S/C12H18FN3/c13-10-3-6-12(16-8-10)15-7-9-1-4-11(14)5-2-9/h3,6,8-9,11H,1-2,4-5,7,14H2,(H,15,16)
InChIKeyWEBLRRULWQWNFI-UHFFFAOYSA-N
XLogP2.15
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-aminocyclohexyl)methyl]-5-fluoropyridin-2-amine?
The IUPAC name of N-[(4-aminocyclohexyl)methyl]-5-fluoropyridin-2-amine (CID 106128725) is N-[(4-aminocyclohexyl)methyl]-5-fluoropyridin-2-amine.
What is the SMILES notation for N-[(4-aminocyclohexyl)methyl]-5-fluoropyridin-2-amine?
The canonical SMILES for N-[(4-aminocyclohexyl)methyl]-5-fluoropyridin-2-amine is NC1CCC(CNc2ccc(F)cn2)CC1.
What is the InChIKey of N-[(4-aminocyclohexyl)methyl]-5-fluoropyridin-2-amine?
The InChIKey is WEBLRRULWQWNFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN3/c13-10-3-6-12(16-8-10)15-7-9-1-4-11(14)5-2-9/h3,6,8-9,11H,1-2,4-5,7,14H2,(H,15,16).
What are the key properties of N-[(4-aminocyclohexyl)methyl]-5-fluoropyridin-2-amine?
N-[(4-aminocyclohexyl)methyl]-5-fluoropyridin-2-amine has a molecular weight of 223.29 g/mol, XLogP of 2.15, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-aminocyclohexyl)methyl]-5-fluoropyridin-2-amine is sourced from PubChem (CID 106128725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).