N-[[2-(5-fluoro-3-pyridinyl)cyclohexyl]methyl]-2-methylpropan-1-amine

C16H25FN2 — CID 81024271

IUPACN-[[2-(5-fluoro-3-pyridinyl)cyclohexyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC1CCCCC1c1cncc(F)c1
InChIInChI=1S/C16H25FN2/c1-12(2)8-18-9-13-5-3-4-6-16(13)14-7-15(17)11-19-10-14/h7,10-13,16,18H,3-6,8-9H2,1-2H3
InChIKeyQKXCIWNRJJEZSK-UHFFFAOYSA-N
MW264.39 g/mol
LogP3.74
Rot. Bonds5

About N-[[2-(5-fluoro-3-pyridinyl)cyclohexyl]methyl]-2-methylpropan-1-amine

N-[[2-(5-fluoro-3-pyridinyl)cyclohexyl]methyl]-2-methylpropan-1-amine (PubChem CID 81024271) has the molecular formula C16H25FN2 and a molecular weight of 264.39 g/mol. Its IUPAC name is N-[[2-(5-fluoro-3-pyridinyl)cyclohexyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[2-(5-fluoro-3-pyridinyl)cyclohexyl]methyl]-2-methylpropan-1-amine
PubChem CID81024271
Molecular FormulaC16H25FN2
Molecular Weight264.39 g/mol
Exact Mass264.20
IUPAC NameN-[[2-(5-fluoro-3-pyridinyl)cyclohexyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC1CCCCC1c1cncc(F)c1
InChIInChI=1S/C16H25FN2/c1-12(2)8-18-9-13-5-3-4-6-16(13)14-7-15(17)11-19-10-14/h7,10-13,16,18H,3-6,8-9H2,1-2H3
InChIKeyQKXCIWNRJJEZSK-UHFFFAOYSA-N
XLogP3.74
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(5-fluoro-3-pyridinyl)cyclohexyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[2-(5-fluoro-3-pyridinyl)cyclohexyl]methyl]-2-methylpropan-1-amine (CID 81024271) is N-[[2-(5-fluoro-3-pyridinyl)cyclohexyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[2-(5-fluoro-3-pyridinyl)cyclohexyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[2-(5-fluoro-3-pyridinyl)cyclohexyl]methyl]-2-methylpropan-1-amine is CC(C)CNCC1CCCCC1c1cncc(F)c1.
What is the InChIKey of N-[[2-(5-fluoro-3-pyridinyl)cyclohexyl]methyl]-2-methylpropan-1-amine?
The InChIKey is QKXCIWNRJJEZSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2/c1-12(2)8-18-9-13-5-3-4-6-16(13)14-7-15(17)11-19-10-14/h7,10-13,16,18H,3-6,8-9H2,1-2H3.
What are the key properties of N-[[2-(5-fluoro-3-pyridinyl)cyclohexyl]methyl]-2-methylpropan-1-amine?
N-[[2-(5-fluoro-3-pyridinyl)cyclohexyl]methyl]-2-methylpropan-1-amine has a molecular weight of 264.39 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(5-fluoro-3-pyridinyl)cyclohexyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 81024271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).