4-[2-(cyclohexylmethyl)-3,3-dimethylpentyl]pyridine

C19H31N — CID 56990572

IUPAC4-[2-(cyclohexylmethyl)-3,3-dimethylpentyl]pyridine
SMILESCCC(C)(C)C(Cc1ccncc1)CC1CCCCC1
InChIInChI=1S/C19H31N/c1-4-19(2,3)18(14-16-8-6-5-7-9-16)15-17-10-12-20-13-11-17/h10-13,16,18H,4-9,14-15H2,1-3H3
InChIKeyYUBYXKSHCNEKRL-UHFFFAOYSA-N
MW273.46 g/mol
LogP5.65
Rot. Bonds6

About 4-[2-(cyclohexylmethyl)-3,3-dimethylpentyl]pyridine

4-[2-(cyclohexylmethyl)-3,3-dimethylpentyl]pyridine (PubChem CID 56990572) has the molecular formula C19H31N and a molecular weight of 273.46 g/mol. Its IUPAC name is 4-[2-(cyclohexylmethyl)-3,3-dimethylpentyl]pyridine.

Molecular Properties

Compound Name4-[2-(cyclohexylmethyl)-3,3-dimethylpentyl]pyridine
PubChem CID56990572
Molecular FormulaC19H31N
Molecular Weight273.46 g/mol
Exact Mass273.25
IUPAC Name4-[2-(cyclohexylmethyl)-3,3-dimethylpentyl]pyridine
SMILESCCC(C)(C)C(Cc1ccncc1)CC1CCCCC1
InChIInChI=1S/C19H31N/c1-4-19(2,3)18(14-16-8-6-5-7-9-16)15-17-10-12-20-13-11-17/h10-13,16,18H,4-9,14-15H2,1-3H3
InChIKeyYUBYXKSHCNEKRL-UHFFFAOYSA-N
XLogP5.65
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.46
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(cyclohexylmethyl)-3,3-dimethylpentyl]pyridine?
The IUPAC name of 4-[2-(cyclohexylmethyl)-3,3-dimethylpentyl]pyridine (CID 56990572) is 4-[2-(cyclohexylmethyl)-3,3-dimethylpentyl]pyridine.
What is the SMILES notation for 4-[2-(cyclohexylmethyl)-3,3-dimethylpentyl]pyridine?
The canonical SMILES for 4-[2-(cyclohexylmethyl)-3,3-dimethylpentyl]pyridine is CCC(C)(C)C(Cc1ccncc1)CC1CCCCC1.
What is the InChIKey of 4-[2-(cyclohexylmethyl)-3,3-dimethylpentyl]pyridine?
The InChIKey is YUBYXKSHCNEKRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N/c1-4-19(2,3)18(14-16-8-6-5-7-9-16)15-17-10-12-20-13-11-17/h10-13,16,18H,4-9,14-15H2,1-3H3.
What are the key properties of 4-[2-(cyclohexylmethyl)-3,3-dimethylpentyl]pyridine?
4-[2-(cyclohexylmethyl)-3,3-dimethylpentyl]pyridine has a molecular weight of 273.46 g/mol, XLogP of 5.65, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(cyclohexylmethyl)-3,3-dimethylpentyl]pyridine is sourced from PubChem (CID 56990572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).