3-(2-cyclopropylheptyl)pyridine

C15H23N — CID 57314652

IUPAC3-(2-cyclopropylheptyl)pyridine
SMILESCCCCCC(Cc1cccnc1)C1CC1
InChIInChI=1S/C15H23N/c1-2-3-4-7-15(14-8-9-14)11-13-6-5-10-16-12-13/h5-6,10,12,14-15H,2-4,7-9,11H2,1H3
InChIKeyXXIDYQXTIVWYLD-UHFFFAOYSA-N
MW217.36 g/mol
LogP4.23
Rot. Bonds7

About 3-(2-cyclopropylheptyl)pyridine

3-(2-cyclopropylheptyl)pyridine (PubChem CID 57314652) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is 3-(2-cyclopropylheptyl)pyridine.

Molecular Properties

Compound Name3-(2-cyclopropylheptyl)pyridine
PubChem CID57314652
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Name3-(2-cyclopropylheptyl)pyridine
SMILESCCCCCC(Cc1cccnc1)C1CC1
InChIInChI=1S/C15H23N/c1-2-3-4-7-15(14-8-9-14)11-13-6-5-10-16-12-13/h5-6,10,12,14-15H,2-4,7-9,11H2,1H3
InChIKeyXXIDYQXTIVWYLD-UHFFFAOYSA-N
XLogP4.23
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(2-hexyloctyl)pyridine
CID 167277838
1-pyridin-3-ylundecan-2-amine
CID 62603230
1-(2-cyclopropylheptyl)-4-phenylbenzene
CID 57023139
N-propyl-1-pyridin-3-yldecan-2-amine
CID 63416378
1-(4-butylcyclohexyl)-2-pyridin-3-ylethanamine
CID 105034554
N-methyl-1-pyridin-3-yldodecan-2-amine
CID 63416247
3-(2-ethylhexyl)pyridine
CID 57206063
2-(pyridin-3-ylmethyl)decanoic acid
CID 139906177
1-pyridin-3-ylundecan-3-ol
CID 105085819
3-[2,2-di(cyclobutyl)ethyl]pyridine
CID 57256962
1-pyridin-3-ylpentan-2-ol
CID 62553061
N-[1-(4-propylcyclohexyl)-2-pyridin-3-ylethyl]propan-1-amine
CID 104736387

Frequently Asked Questions

What is the IUPAC name of 3-(2-cyclopropylheptyl)pyridine?
The IUPAC name of 3-(2-cyclopropylheptyl)pyridine (CID 57314652) is 3-(2-cyclopropylheptyl)pyridine.
What is the SMILES notation for 3-(2-cyclopropylheptyl)pyridine?
The canonical SMILES for 3-(2-cyclopropylheptyl)pyridine is CCCCCC(Cc1cccnc1)C1CC1.
What is the InChIKey of 3-(2-cyclopropylheptyl)pyridine?
The InChIKey is XXIDYQXTIVWYLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N/c1-2-3-4-7-15(14-8-9-14)11-13-6-5-10-16-12-13/h5-6,10,12,14-15H,2-4,7-9,11H2,1H3.
What are the key properties of 3-(2-cyclopropylheptyl)pyridine?
3-(2-cyclopropylheptyl)pyridine has a molecular weight of 217.36 g/mol, XLogP of 4.23, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclopropylheptyl)pyridine is sourced from PubChem (CID 57314652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).