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

C16H25FN2 — CID 103781018

IUPACN-[1-(5-fluoro-3-pyridinyl)ethyl]-2-propan-2-ylcyclohexan-1-amine
SMILESCC(NC1CCCCC1C(C)C)c1cncc(F)c1
InChIInChI=1S/C16H25FN2/c1-11(2)15-6-4-5-7-16(15)19-12(3)13-8-14(17)10-18-9-13/h8-12,15-16,19H,4-7H2,1-3H3
InChIKeyDFSQGAMORIVUTQ-UHFFFAOYSA-N
MW264.39 g/mol
LogP4.09
Rot. Bonds4

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

N-[1-(5-fluoro-3-pyridinyl)ethyl]-2-propan-2-ylcyclohexan-1-amine (PubChem CID 103781018) has the molecular formula C16H25FN2 and a molecular weight of 264.39 g/mol. Its IUPAC name is N-[1-(5-fluoro-3-pyridinyl)ethyl]-2-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[1-(5-fluoro-3-pyridinyl)ethyl]-2-propan-2-ylcyclohexan-1-amine
PubChem CID103781018
Molecular FormulaC16H25FN2
Molecular Weight264.39 g/mol
Exact Mass264.20
IUPAC NameN-[1-(5-fluoro-3-pyridinyl)ethyl]-2-propan-2-ylcyclohexan-1-amine
SMILESCC(NC1CCCCC1C(C)C)c1cncc(F)c1
InChIInChI=1S/C16H25FN2/c1-11(2)15-6-4-5-7-16(15)19-12(3)13-8-14(17)10-18-9-13/h8-12,15-16,19H,4-7H2,1-3H3
InChIKeyDFSQGAMORIVUTQ-UHFFFAOYSA-N
XLogP4.09
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 54.09
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-propan-2-ylcyclohexan-1-amine?
The IUPAC name of N-[1-(5-fluoro-3-pyridinyl)ethyl]-2-propan-2-ylcyclohexan-1-amine (CID 103781018) is N-[1-(5-fluoro-3-pyridinyl)ethyl]-2-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for N-[1-(5-fluoro-3-pyridinyl)ethyl]-2-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for N-[1-(5-fluoro-3-pyridinyl)ethyl]-2-propan-2-ylcyclohexan-1-amine is CC(NC1CCCCC1C(C)C)c1cncc(F)c1.
What is the InChIKey of N-[1-(5-fluoro-3-pyridinyl)ethyl]-2-propan-2-ylcyclohexan-1-amine?
The InChIKey is DFSQGAMORIVUTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2/c1-11(2)15-6-4-5-7-16(15)19-12(3)13-8-14(17)10-18-9-13/h8-12,15-16,19H,4-7H2,1-3H3.
What are the key properties of N-[1-(5-fluoro-3-pyridinyl)ethyl]-2-propan-2-ylcyclohexan-1-amine?
N-[1-(5-fluoro-3-pyridinyl)ethyl]-2-propan-2-ylcyclohexan-1-amine has a molecular weight of 264.39 g/mol, XLogP of 4.09, 4 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-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 103781018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).