6-fluoro-N-heptan-2-ylpyridin-2-amine

C12H19FN2 — CID 61466659

IUPAC6-fluoro-N-heptan-2-ylpyridin-2-amine
SMILESCCCCCC(C)Nc1cccc(F)n1
InChIInChI=1S/C12H19FN2/c1-3-4-5-7-10(2)14-12-9-6-8-11(13)15-12/h6,8-10H,3-5,7H2,1-2H3,(H,14,15)
InChIKeyRHODLWQNCHYVTI-UHFFFAOYSA-N
MW210.30 g/mol
LogP3.60
Rot. Bonds6

About 6-fluoro-N-heptan-2-ylpyridin-2-amine

6-fluoro-N-heptan-2-ylpyridin-2-amine (PubChem CID 61466659) has the molecular formula C12H19FN2 and a molecular weight of 210.30 g/mol. Its IUPAC name is 6-fluoro-N-heptan-2-ylpyridin-2-amine.

Molecular Properties

Compound Name6-fluoro-N-heptan-2-ylpyridin-2-amine
PubChem CID61466659
Molecular FormulaC12H19FN2
Molecular Weight210.30 g/mol
Exact Mass210.15
IUPAC Name6-fluoro-N-heptan-2-ylpyridin-2-amine
SMILESCCCCCC(C)Nc1cccc(F)n1
InChIInChI=1S/C12H19FN2/c1-3-4-5-7-10(2)14-12-9-6-8-11(13)15-12/h6,8-10H,3-5,7H2,1-2H3,(H,14,15)
InChIKeyRHODLWQNCHYVTI-UHFFFAOYSA-N
XLogP3.60
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-N-heptan-2-yl-2-N-propylpyridine-2,6-diamine
CID 80803403
6-N-octan-2-ylpyridine-2,6-diamine
CID 80648074
6-fluoro-N-(4-methoxybutan-2-yl)pyridin-2-amine
CID 62735334
N-hexan-2-yl-6-methylpyridin-2-amine
CID 62199495
6-fluoro-N-pent-4-yn-2-ylpyridin-2-amine
CID 103705067
6-fluoro-N-[1-(4-fluorophenyl)pentyl]pyridin-2-amine
CID 116812935
2,6-difluoro-N-heptan-2-ylaniline
CID 43123890
2,6-difluoro-N-octan-2-ylaniline
CID 11356906
N-octan-2-ylpyridazin-3-amine
CID 62481019
4-N-heptan-2-ylpyrimidine-2,4-diamine
CID 80803742
4-[2-[(6-fluoro-2-pyridinyl)amino]propyl]phenol
CID 116812806
2-N-ethyl-6-N-(6-methylheptan-2-yl)pyridine-2,6-diamine
CID 80800465

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-heptan-2-ylpyridin-2-amine?
The IUPAC name of 6-fluoro-N-heptan-2-ylpyridin-2-amine (CID 61466659) is 6-fluoro-N-heptan-2-ylpyridin-2-amine.
What is the SMILES notation for 6-fluoro-N-heptan-2-ylpyridin-2-amine?
The canonical SMILES for 6-fluoro-N-heptan-2-ylpyridin-2-amine is CCCCCC(C)Nc1cccc(F)n1.
What is the InChIKey of 6-fluoro-N-heptan-2-ylpyridin-2-amine?
The InChIKey is RHODLWQNCHYVTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2/c1-3-4-5-7-10(2)14-12-9-6-8-11(13)15-12/h6,8-10H,3-5,7H2,1-2H3,(H,14,15).
What are the key properties of 6-fluoro-N-heptan-2-ylpyridin-2-amine?
6-fluoro-N-heptan-2-ylpyridin-2-amine has a molecular weight of 210.30 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-heptan-2-ylpyridin-2-amine is sourced from PubChem (CID 61466659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).