2-[[4-(2,2-dimethylpropyl)cyclohexyl]methyl]pyridine

C17H27N — CID 58318500

IUPAC2-[[4-(2,2-dimethylpropyl)cyclohexyl]methyl]pyridine
SMILESCC(C)(C)CC1CCC(Cc2ccccn2)CC1
InChIInChI=1S/C17H27N/c1-17(2,3)13-15-9-7-14(8-10-15)12-16-6-4-5-11-18-16/h4-6,11,14-15H,7-10,12-13H2,1-3H3
InChIKeyLBEZWHXRERWHHM-UHFFFAOYSA-N
MW245.41 g/mol
LogP4.87
Rot. Bonds3

About 2-[[4-(2,2-dimethylpropyl)cyclohexyl]methyl]pyridine

2-[[4-(2,2-dimethylpropyl)cyclohexyl]methyl]pyridine (PubChem CID 58318500) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is 2-[[4-(2,2-dimethylpropyl)cyclohexyl]methyl]pyridine.

Molecular Properties

Compound Name2-[[4-(2,2-dimethylpropyl)cyclohexyl]methyl]pyridine
PubChem CID58318500
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC Name2-[[4-(2,2-dimethylpropyl)cyclohexyl]methyl]pyridine
SMILESCC(C)(C)CC1CCC(Cc2ccccn2)CC1
InChIInChI=1S/C17H27N/c1-17(2,3)13-15-9-7-14(8-10-15)12-16-6-4-5-11-18-16/h4-6,11,14-15H,7-10,12-13H2,1-3H3
InChIKeyLBEZWHXRERWHHM-UHFFFAOYSA-N
XLogP4.87
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(cyclohexylmethyl)pyridine
CID 14762660
2-[[4-(2-methylpropyl)cyclohexyl]methyl]pyridine
CID 129147354
N-[4-(2,2-dimethylpropyl)cyclohexyl]-2-pyridin-2-ylacetamide
CID 164971686
2-[[1-(2-methylpropyl)piperidin-4-yl]methyl]pyridine
CID 174571259
2-(pyrrolidin-3-ylmethyl)pyridine;hydrochloride
CID 86262770
2-[[(1S,2R)-1-tert-butylphospholan-2-yl]methyl]pyridine
CID 10125220
2-[(1,2-dimethylpiperidin-4-yl)methyl]pyridine
CID 174968091
1-[3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone
CID 110254207
4-tert-butyl-2-(pyridin-2-ylmethyl)cyclohexan-1-one
CID 79416698
2-[[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]methyl]pyridine
CID 95844895
6-(2,2-dimethylpropyl)-5,6,7,8-tetrahydroquinoline
CID 126639373
2-(5,5-dimethylhexyl)pyridine
CID 151657269

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2,2-dimethylpropyl)cyclohexyl]methyl]pyridine?
The IUPAC name of 2-[[4-(2,2-dimethylpropyl)cyclohexyl]methyl]pyridine (CID 58318500) is 2-[[4-(2,2-dimethylpropyl)cyclohexyl]methyl]pyridine.
What is the SMILES notation for 2-[[4-(2,2-dimethylpropyl)cyclohexyl]methyl]pyridine?
The canonical SMILES for 2-[[4-(2,2-dimethylpropyl)cyclohexyl]methyl]pyridine is CC(C)(C)CC1CCC(Cc2ccccn2)CC1.
What is the InChIKey of 2-[[4-(2,2-dimethylpropyl)cyclohexyl]methyl]pyridine?
The InChIKey is LBEZWHXRERWHHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-17(2,3)13-15-9-7-14(8-10-15)12-16-6-4-5-11-18-16/h4-6,11,14-15H,7-10,12-13H2,1-3H3.
What are the key properties of 2-[[4-(2,2-dimethylpropyl)cyclohexyl]methyl]pyridine?
2-[[4-(2,2-dimethylpropyl)cyclohexyl]methyl]pyridine has a molecular weight of 245.41 g/mol, XLogP of 4.87, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2,2-dimethylpropyl)cyclohexyl]methyl]pyridine is sourced from PubChem (CID 58318500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).