1-(3,4-dimethylcyclohexyl)-1-(5-fluoro-2-pyridinyl)propan-1-amine

C16H25FN2 — CID 112586065

IUPAC1-(3,4-dimethylcyclohexyl)-1-(5-fluoro-2-pyridinyl)propan-1-amine
SMILESCCC(N)(c1ccc(F)cn1)C1CCC(C)C(C)C1
InChIInChI=1S/C16H25FN2/c1-4-16(18,15-8-7-14(17)10-19-15)13-6-5-11(2)12(3)9-13/h7-8,10-13H,4-6,9,18H2,1-3H3
InChIKeyHBXBLLIHIQAUJH-UHFFFAOYSA-N
MW264.39 g/mol
LogP3.86
Rot. Bonds3

About 1-(3,4-dimethylcyclohexyl)-1-(5-fluoro-2-pyridinyl)propan-1-amine

1-(3,4-dimethylcyclohexyl)-1-(5-fluoro-2-pyridinyl)propan-1-amine (PubChem CID 112586065) has the molecular formula C16H25FN2 and a molecular weight of 264.39 g/mol. Its IUPAC name is 1-(3,4-dimethylcyclohexyl)-1-(5-fluoro-2-pyridinyl)propan-1-amine.

Molecular Properties

Compound Name1-(3,4-dimethylcyclohexyl)-1-(5-fluoro-2-pyridinyl)propan-1-amine
PubChem CID112586065
Molecular FormulaC16H25FN2
Molecular Weight264.39 g/mol
Exact Mass264.20
IUPAC Name1-(3,4-dimethylcyclohexyl)-1-(5-fluoro-2-pyridinyl)propan-1-amine
SMILESCCC(N)(c1ccc(F)cn1)C1CCC(C)C(C)C1
InChIInChI=1S/C16H25FN2/c1-4-16(18,15-8-7-14(17)10-19-15)13-6-5-11(2)12(3)9-13/h7-8,10-13H,4-6,9,18H2,1-3H3
InChIKeyHBXBLLIHIQAUJH-UHFFFAOYSA-N
XLogP3.86
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylcyclohexyl)-1-(5-fluoro-2-pyridinyl)propan-1-amine?
The IUPAC name of 1-(3,4-dimethylcyclohexyl)-1-(5-fluoro-2-pyridinyl)propan-1-amine (CID 112586065) is 1-(3,4-dimethylcyclohexyl)-1-(5-fluoro-2-pyridinyl)propan-1-amine.
What is the SMILES notation for 1-(3,4-dimethylcyclohexyl)-1-(5-fluoro-2-pyridinyl)propan-1-amine?
The canonical SMILES for 1-(3,4-dimethylcyclohexyl)-1-(5-fluoro-2-pyridinyl)propan-1-amine is CCC(N)(c1ccc(F)cn1)C1CCC(C)C(C)C1.
What is the InChIKey of 1-(3,4-dimethylcyclohexyl)-1-(5-fluoro-2-pyridinyl)propan-1-amine?
The InChIKey is HBXBLLIHIQAUJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2/c1-4-16(18,15-8-7-14(17)10-19-15)13-6-5-11(2)12(3)9-13/h7-8,10-13H,4-6,9,18H2,1-3H3.
What are the key properties of 1-(3,4-dimethylcyclohexyl)-1-(5-fluoro-2-pyridinyl)propan-1-amine?
1-(3,4-dimethylcyclohexyl)-1-(5-fluoro-2-pyridinyl)propan-1-amine has a molecular weight of 264.39 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylcyclohexyl)-1-(5-fluoro-2-pyridinyl)propan-1-amine is sourced from PubChem (CID 112586065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).