3-heptan-4-yl-5-methylpyridine

C13H21N — CID 134266506

IUPAC3-heptan-4-yl-5-methylpyridine
SMILESCCCC(CCC)c1cncc(C)c1
InChIInChI=1S/C13H21N/c1-4-6-12(7-5-2)13-8-11(3)9-14-10-13/h8-10,12H,4-7H2,1-3H3
InChIKeyUEVKQIMIUGQVGC-UHFFFAOYSA-N
MW191.32 g/mol
LogP4.07
Rot. Bonds5

About 3-heptan-4-yl-5-methylpyridine

3-heptan-4-yl-5-methylpyridine (PubChem CID 134266506) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is 3-heptan-4-yl-5-methylpyridine.

Molecular Properties

Compound Name3-heptan-4-yl-5-methylpyridine
PubChem CID134266506
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC Name3-heptan-4-yl-5-methylpyridine
SMILESCCCC(CCC)c1cncc(C)c1
InChIInChI=1S/C13H21N/c1-4-6-12(7-5-2)13-8-11(3)9-14-10-13/h8-10,12H,4-7H2,1-3H3
InChIKeyUEVKQIMIUGQVGC-UHFFFAOYSA-N
XLogP4.07
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(5-methyl-3-pyridinyl)hexan-1-amine
CID 105023199
1-(5-methyl-3-pyridinyl)dodecan-1-amine
CID 105022916
[2-methyl-1-(5-methyl-3-pyridinyl)pentyl]hydrazine
CID 105328587
1-(5-methyl-3-pyridinyl)-3-propoxypropan-1-amine
CID 105173870
1-(5-methyl-3-pyridinyl)pentylhydrazine
CID 105245659
N-methyl-1-(5-methyl-3-pyridinyl)dodecan-1-amine
CID 105023057
2-ethyl-1-(5-methyl-3-pyridinyl)hexan-1-amine
CID 105022799
1-(5-methyl-3-pyridinyl)butane-1,4-diol
CID 106677884
1-(5-methyl-3-pyridinyl)-2-propoxyethanol
CID 115374102
N-[(3,5-dimethylphenyl)-(5-methyl-3-pyridinyl)methyl]ethanamine
CID 105023254
N-ethyl-2,2,2-trifluoro-1-(5-methyl-3-pyridinyl)ethanamine
CID 105022970
1-(5-methyl-3-pyridinyl)hex-4-yn-1-amine
CID 105181558

Frequently Asked Questions

What is the IUPAC name of 3-heptan-4-yl-5-methylpyridine?
The IUPAC name of 3-heptan-4-yl-5-methylpyridine (CID 134266506) is 3-heptan-4-yl-5-methylpyridine.
What is the SMILES notation for 3-heptan-4-yl-5-methylpyridine?
The canonical SMILES for 3-heptan-4-yl-5-methylpyridine is CCCC(CCC)c1cncc(C)c1.
What is the InChIKey of 3-heptan-4-yl-5-methylpyridine?
The InChIKey is UEVKQIMIUGQVGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N/c1-4-6-12(7-5-2)13-8-11(3)9-14-10-13/h8-10,12H,4-7H2,1-3H3.
What are the key properties of 3-heptan-4-yl-5-methylpyridine?
3-heptan-4-yl-5-methylpyridine has a molecular weight of 191.32 g/mol, XLogP of 4.07, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-heptan-4-yl-5-methylpyridine is sourced from PubChem (CID 134266506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).