N-[1-(5-fluoro-3-pyridinyl)ethyl]-2-methylcyclohexan-1-amine

C14H21FN2 — CID 103775342

IUPACN-[1-(5-fluoro-3-pyridinyl)ethyl]-2-methylcyclohexan-1-amine
SMILESCC(NC1CCCCC1C)c1cncc(F)c1
InChIInChI=1S/C14H21FN2/c1-10-5-3-4-6-14(10)17-11(2)12-7-13(15)9-16-8-12/h7-11,14,17H,3-6H2,1-2H3
InChIKeyQFCCMMHFTZRKMK-UHFFFAOYSA-N
MW236.33 g/mol
LogP3.45
Rot. Bonds3

About N-[1-(5-fluoro-3-pyridinyl)ethyl]-2-methylcyclohexan-1-amine

N-[1-(5-fluoro-3-pyridinyl)ethyl]-2-methylcyclohexan-1-amine (PubChem CID 103775342) has the molecular formula C14H21FN2 and a molecular weight of 236.33 g/mol. Its IUPAC name is N-[1-(5-fluoro-3-pyridinyl)ethyl]-2-methylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[1-(5-fluoro-3-pyridinyl)ethyl]-2-methylcyclohexan-1-amine
PubChem CID103775342
Molecular FormulaC14H21FN2
Molecular Weight236.33 g/mol
Exact Mass236.17
IUPAC NameN-[1-(5-fluoro-3-pyridinyl)ethyl]-2-methylcyclohexan-1-amine
SMILESCC(NC1CCCCC1C)c1cncc(F)c1
InChIInChI=1S/C14H21FN2/c1-10-5-3-4-6-14(10)17-11(2)12-7-13(15)9-16-8-12/h7-11,14,17H,3-6H2,1-2H3
InChIKeyQFCCMMHFTZRKMK-UHFFFAOYSA-N
XLogP3.45
TPSA24.92 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 ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-fluoro-3-pyridinyl)ethyl]-2-methylcyclohexan-1-amine?
The IUPAC name of N-[1-(5-fluoro-3-pyridinyl)ethyl]-2-methylcyclohexan-1-amine (CID 103775342) is N-[1-(5-fluoro-3-pyridinyl)ethyl]-2-methylcyclohexan-1-amine.
What is the SMILES notation for N-[1-(5-fluoro-3-pyridinyl)ethyl]-2-methylcyclohexan-1-amine?
The canonical SMILES for N-[1-(5-fluoro-3-pyridinyl)ethyl]-2-methylcyclohexan-1-amine is CC(NC1CCCCC1C)c1cncc(F)c1.
What is the InChIKey of N-[1-(5-fluoro-3-pyridinyl)ethyl]-2-methylcyclohexan-1-amine?
The InChIKey is QFCCMMHFTZRKMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2/c1-10-5-3-4-6-14(10)17-11(2)12-7-13(15)9-16-8-12/h7-11,14,17H,3-6H2,1-2H3.
What are the key properties of N-[1-(5-fluoro-3-pyridinyl)ethyl]-2-methylcyclohexan-1-amine?
N-[1-(5-fluoro-3-pyridinyl)ethyl]-2-methylcyclohexan-1-amine has a molecular weight of 236.33 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-fluoro-3-pyridinyl)ethyl]-2-methylcyclohexan-1-amine is sourced from PubChem (CID 103775342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).