2-[[4-(1-nonylcyclopropyl)phenyl]methyl]pyridine

C24H33N — CID 174659944

IUPAC2-[[4-(1-nonylcyclopropyl)phenyl]methyl]pyridine
SMILESCCCCCCCCCC1(c2ccc(Cc3ccccn3)cc2)CC1
InChIInChI=1S/C24H33N/c1-2-3-4-5-6-7-9-16-24(17-18-24)22-14-12-21(13-15-22)20-23-11-8-10-19-25-23/h8,10-15,19H,2-7,9,16-18,20H2,1H3
InChIKeyXCNONMQQWLZHKO-UHFFFAOYSA-N
MW335.54 g/mol
LogP6.84
Rot. Bonds11

About 2-[[4-(1-nonylcyclopropyl)phenyl]methyl]pyridine

2-[[4-(1-nonylcyclopropyl)phenyl]methyl]pyridine (PubChem CID 174659944) has the molecular formula C24H33N and a molecular weight of 335.54 g/mol. Its IUPAC name is 2-[[4-(1-nonylcyclopropyl)phenyl]methyl]pyridine.

Molecular Properties

Compound Name2-[[4-(1-nonylcyclopropyl)phenyl]methyl]pyridine
PubChem CID174659944
Molecular FormulaC24H33N
Molecular Weight335.54 g/mol
Exact Mass335.26
IUPAC Name2-[[4-(1-nonylcyclopropyl)phenyl]methyl]pyridine
SMILESCCCCCCCCCC1(c2ccc(Cc3ccccn3)cc2)CC1
InChIInChI=1S/C24H33N/c1-2-3-4-5-6-7-9-16-24(17-18-24)22-14-12-21(13-15-22)20-23-11-8-10-19-25-23/h8,10-15,19H,2-7,9,16-18,20H2,1H3
InChIKeyXCNONMQQWLZHKO-UHFFFAOYSA-N
XLogP6.84
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.54
LogP ≤ 56.84
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

2-[[4-(1-propan-2-ylcyclopropyl)phenyl]methyl]pyridine
CID 174659940
2-undecylpyridine
CID 66882765
2-tetradecylpyridine;hydrochloride
CID 45489746
2-hexadecylpyridine;hydrate
CID 141211108
azanium;2-tetradecylpyridine;bromide
CID 157411341
1-chlorotetradecane;2-ethylpyridine
CID 160860410
1-(1-hexylcyclohexyl)-4-pentoxybenzene
CID 70489126
2-[[3,5-bis(pyridin-2-ylmethyl)phenyl]methyl]pyridine
CID 102075718
(1-butylcyclobutyl)benzene
CID 57200184
chromium;2-pentylpyridine;hydrochloride
CID 175220071
1-(4-dodecylphenyl)-N,N-bis(pyridin-2-ylmethyl)methanamine
CID 70525821
butyl(pyridin-2-ylmethyl)azanium
CID 40508011

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(1-nonylcyclopropyl)phenyl]methyl]pyridine?
The IUPAC name of 2-[[4-(1-nonylcyclopropyl)phenyl]methyl]pyridine (CID 174659944) is 2-[[4-(1-nonylcyclopropyl)phenyl]methyl]pyridine.
What is the SMILES notation for 2-[[4-(1-nonylcyclopropyl)phenyl]methyl]pyridine?
The canonical SMILES for 2-[[4-(1-nonylcyclopropyl)phenyl]methyl]pyridine is CCCCCCCCCC1(c2ccc(Cc3ccccn3)cc2)CC1.
What is the InChIKey of 2-[[4-(1-nonylcyclopropyl)phenyl]methyl]pyridine?
The InChIKey is XCNONMQQWLZHKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N/c1-2-3-4-5-6-7-9-16-24(17-18-24)22-14-12-21(13-15-22)20-23-11-8-10-19-25-23/h8,10-15,19H,2-7,9,16-18,20H2,1H3.
What are the key properties of 2-[[4-(1-nonylcyclopropyl)phenyl]methyl]pyridine?
2-[[4-(1-nonylcyclopropyl)phenyl]methyl]pyridine has a molecular weight of 335.54 g/mol, XLogP of 6.84, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(1-nonylcyclopropyl)phenyl]methyl]pyridine is sourced from PubChem (CID 174659944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).