3-[(5-ethyl-2-pyridinyl)methyl]-3-fluorocyclohexan-1-amine

C14H21FN2 — CID 112567654

IUPAC3-[(5-ethyl-2-pyridinyl)methyl]-3-fluorocyclohexan-1-amine
SMILESCCc1ccc(CC2(F)CCCC(N)C2)nc1
InChIInChI=1S/C14H21FN2/c1-2-11-5-6-13(17-10-11)9-14(15)7-3-4-12(16)8-14/h5-6,10,12H,2-4,7-9,16H2,1H3
InChIKeyHWGKPHUFVGCQRR-UHFFFAOYSA-N
MW236.33 g/mol
LogP2.80
Rot. Bonds3

About 3-[(5-ethyl-2-pyridinyl)methyl]-3-fluorocyclohexan-1-amine

3-[(5-ethyl-2-pyridinyl)methyl]-3-fluorocyclohexan-1-amine (PubChem CID 112567654) has the molecular formula C14H21FN2 and a molecular weight of 236.33 g/mol. Its IUPAC name is 3-[(5-ethyl-2-pyridinyl)methyl]-3-fluorocyclohexan-1-amine.

Molecular Properties

Compound Name3-[(5-ethyl-2-pyridinyl)methyl]-3-fluorocyclohexan-1-amine
PubChem CID112567654
Molecular FormulaC14H21FN2
Molecular Weight236.33 g/mol
Exact Mass236.17
IUPAC Name3-[(5-ethyl-2-pyridinyl)methyl]-3-fluorocyclohexan-1-amine
SMILESCCc1ccc(CC2(F)CCCC(N)C2)nc1
InChIInChI=1S/C14H21FN2/c1-2-11-5-6-13(17-10-11)9-14(15)7-3-4-12(16)8-14/h5-6,10,12H,2-4,7-9,16H2,1H3
InChIKeyHWGKPHUFVGCQRR-UHFFFAOYSA-N
XLogP2.80
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.33
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-ethyl-2-pyridinyl)methyl]-3-fluorocyclohexan-1-amine?
The IUPAC name of 3-[(5-ethyl-2-pyridinyl)methyl]-3-fluorocyclohexan-1-amine (CID 112567654) is 3-[(5-ethyl-2-pyridinyl)methyl]-3-fluorocyclohexan-1-amine.
What is the SMILES notation for 3-[(5-ethyl-2-pyridinyl)methyl]-3-fluorocyclohexan-1-amine?
The canonical SMILES for 3-[(5-ethyl-2-pyridinyl)methyl]-3-fluorocyclohexan-1-amine is CCc1ccc(CC2(F)CCCC(N)C2)nc1.
What is the InChIKey of 3-[(5-ethyl-2-pyridinyl)methyl]-3-fluorocyclohexan-1-amine?
The InChIKey is HWGKPHUFVGCQRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2/c1-2-11-5-6-13(17-10-11)9-14(15)7-3-4-12(16)8-14/h5-6,10,12H,2-4,7-9,16H2,1H3.
What are the key properties of 3-[(5-ethyl-2-pyridinyl)methyl]-3-fluorocyclohexan-1-amine?
3-[(5-ethyl-2-pyridinyl)methyl]-3-fluorocyclohexan-1-amine has a molecular weight of 236.33 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-ethyl-2-pyridinyl)methyl]-3-fluorocyclohexan-1-amine is sourced from PubChem (CID 112567654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).