3-fluoro-N-(6-methylheptan-2-yl)pyridin-2-amine

C13H21FN2 — CID 62732858

IUPAC3-fluoro-N-(6-methylheptan-2-yl)pyridin-2-amine
SMILESCC(C)CCCC(C)Nc1ncccc1F
InChIInChI=1S/C13H21FN2/c1-10(2)6-4-7-11(3)16-13-12(14)8-5-9-15-13/h5,8-11H,4,6-7H2,1-3H3,(H,15,16)
InChIKeyHUCDXZYSRYGSTL-UHFFFAOYSA-N
MW224.32 g/mol
LogP3.85
Rot. Bonds6

About 3-fluoro-N-(6-methylheptan-2-yl)pyridin-2-amine

3-fluoro-N-(6-methylheptan-2-yl)pyridin-2-amine (PubChem CID 62732858) has the molecular formula C13H21FN2 and a molecular weight of 224.32 g/mol. Its IUPAC name is 3-fluoro-N-(6-methylheptan-2-yl)pyridin-2-amine.

Molecular Properties

Compound Name3-fluoro-N-(6-methylheptan-2-yl)pyridin-2-amine
PubChem CID62732858
Molecular FormulaC13H21FN2
Molecular Weight224.32 g/mol
Exact Mass224.17
IUPAC Name3-fluoro-N-(6-methylheptan-2-yl)pyridin-2-amine
SMILESCC(C)CCCC(C)Nc1ncccc1F
InChIInChI=1S/C13H21FN2/c1-10(2)6-4-7-11(3)16-13-12(14)8-5-9-15-13/h5,8-11H,4,6-7H2,1-3H3,(H,15,16)
InChIKeyHUCDXZYSRYGSTL-UHFFFAOYSA-N
XLogP3.85
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.32
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(6-methylheptan-2-yl)-3-methylsulfonylpyridin-2-amine
CID 114598753
3-fluoro-N-propan-2-ylpyridin-2-amine
CID 62733783
N-(6-methylheptan-2-yl)pyridin-2-amine
CID 61472531
3-fluoro-N-octan-4-ylpyridin-2-amine
CID 106026370
3-fluoro-N-(1-morpholin-4-ylpropan-2-yl)pyridin-2-amine
CID 62733426
3-[(3-fluoro-2-pyridinyl)amino]-2-methylbutan-2-ol
CID 130892998
N-heptan-2-yl-3-(trifluoromethyl)pyridin-2-amine
CID 63541338
N-(6-methylheptan-2-yl)pyridin-4-amine
CID 61472376
4-N-(3-methylsulfonyl-2-pyridinyl)pentane-1,4-diamine
CID 114600179
2-N-octan-2-ylpyridine-2,3-diamine
CID 61476406
N-(1-ethoxy-3-methylbutan-2-yl)-3-fluoropyridin-2-amine
CID 103270021
2-[(3-fluoro-2-pyridinyl)amino]-N-propylpropanamide
CID 62733234

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(6-methylheptan-2-yl)pyridin-2-amine?
The IUPAC name of 3-fluoro-N-(6-methylheptan-2-yl)pyridin-2-amine (CID 62732858) is 3-fluoro-N-(6-methylheptan-2-yl)pyridin-2-amine.
What is the SMILES notation for 3-fluoro-N-(6-methylheptan-2-yl)pyridin-2-amine?
The canonical SMILES for 3-fluoro-N-(6-methylheptan-2-yl)pyridin-2-amine is CC(C)CCCC(C)Nc1ncccc1F.
What is the InChIKey of 3-fluoro-N-(6-methylheptan-2-yl)pyridin-2-amine?
The InChIKey is HUCDXZYSRYGSTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN2/c1-10(2)6-4-7-11(3)16-13-12(14)8-5-9-15-13/h5,8-11H,4,6-7H2,1-3H3,(H,15,16).
What are the key properties of 3-fluoro-N-(6-methylheptan-2-yl)pyridin-2-amine?
3-fluoro-N-(6-methylheptan-2-yl)pyridin-2-amine has a molecular weight of 224.32 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(6-methylheptan-2-yl)pyridin-2-amine is sourced from PubChem (CID 62732858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).