1-[[1-(5-fluoro-3-pyridinyl)ethylamino]methyl]-N,N-dimethylcyclohexan-1-amine

C16H26FN3 — CID 103776011

IUPAC1-[[1-(5-fluoro-3-pyridinyl)ethylamino]methyl]-N,N-dimethylcyclohexan-1-amine
SMILESCC(NCC1(N(C)C)CCCCC1)c1cncc(F)c1
InChIInChI=1S/C16H26FN3/c1-13(14-9-15(17)11-18-10-14)19-12-16(20(2)3)7-5-4-6-8-16/h9-11,13,19H,4-8,12H2,1-3H3
InChIKeyUBBKOCJQMCTSGS-UHFFFAOYSA-N
MW279.40 g/mol
LogP3.14
Rot. Bonds5

About 1-[[1-(5-fluoro-3-pyridinyl)ethylamino]methyl]-N,N-dimethylcyclohexan-1-amine

1-[[1-(5-fluoro-3-pyridinyl)ethylamino]methyl]-N,N-dimethylcyclohexan-1-amine (PubChem CID 103776011) has the molecular formula C16H26FN3 and a molecular weight of 279.40 g/mol. Its IUPAC name is 1-[[1-(5-fluoro-3-pyridinyl)ethylamino]methyl]-N,N-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[[1-(5-fluoro-3-pyridinyl)ethylamino]methyl]-N,N-dimethylcyclohexan-1-amine
PubChem CID103776011
Molecular FormulaC16H26FN3
Molecular Weight279.40 g/mol
Exact Mass279.21
IUPAC Name1-[[1-(5-fluoro-3-pyridinyl)ethylamino]methyl]-N,N-dimethylcyclohexan-1-amine
SMILESCC(NCC1(N(C)C)CCCCC1)c1cncc(F)c1
InChIInChI=1S/C16H26FN3/c1-13(14-9-15(17)11-18-10-14)19-12-16(20(2)3)7-5-4-6-8-16/h9-11,13,19H,4-8,12H2,1-3H3
InChIKeyUBBKOCJQMCTSGS-UHFFFAOYSA-N
XLogP3.14
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-(5-fluoro-3-pyridinyl)ethylamino]methyl]-N,N-dimethylcyclohexan-1-amine?
The IUPAC name of 1-[[1-(5-fluoro-3-pyridinyl)ethylamino]methyl]-N,N-dimethylcyclohexan-1-amine (CID 103776011) is 1-[[1-(5-fluoro-3-pyridinyl)ethylamino]methyl]-N,N-dimethylcyclohexan-1-amine.
What is the SMILES notation for 1-[[1-(5-fluoro-3-pyridinyl)ethylamino]methyl]-N,N-dimethylcyclohexan-1-amine?
The canonical SMILES for 1-[[1-(5-fluoro-3-pyridinyl)ethylamino]methyl]-N,N-dimethylcyclohexan-1-amine is CC(NCC1(N(C)C)CCCCC1)c1cncc(F)c1.
What is the InChIKey of 1-[[1-(5-fluoro-3-pyridinyl)ethylamino]methyl]-N,N-dimethylcyclohexan-1-amine?
The InChIKey is UBBKOCJQMCTSGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FN3/c1-13(14-9-15(17)11-18-10-14)19-12-16(20(2)3)7-5-4-6-8-16/h9-11,13,19H,4-8,12H2,1-3H3.
What are the key properties of 1-[[1-(5-fluoro-3-pyridinyl)ethylamino]methyl]-N,N-dimethylcyclohexan-1-amine?
1-[[1-(5-fluoro-3-pyridinyl)ethylamino]methyl]-N,N-dimethylcyclohexan-1-amine has a molecular weight of 279.40 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(5-fluoro-3-pyridinyl)ethylamino]methyl]-N,N-dimethylcyclohexan-1-amine is sourced from PubChem (CID 103776011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).