(3-ethylcyclohexyl)-(3-ethyl-2-pyridinyl)methanone

C16H23NO — CID 82731354

IUPAC(3-ethylcyclohexyl)-(3-ethyl-2-pyridinyl)methanone
SMILESCCc1cccnc1C(=O)C1CCCC(CC)C1
InChIInChI=1S/C16H23NO/c1-3-12-7-5-8-14(11-12)16(18)15-13(4-2)9-6-10-17-15/h6,9-10,12,14H,3-5,7-8,11H2,1-2H3
InChIKeyRCLRVMHGOCPDPK-UHFFFAOYSA-N
MW245.37 g/mol
LogP4.04
Rot. Bonds4

About (3-ethylcyclohexyl)-(3-ethyl-2-pyridinyl)methanone

(3-ethylcyclohexyl)-(3-ethyl-2-pyridinyl)methanone (PubChem CID 82731354) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is (3-ethylcyclohexyl)-(3-ethyl-2-pyridinyl)methanone.

Molecular Properties

Compound Name(3-ethylcyclohexyl)-(3-ethyl-2-pyridinyl)methanone
PubChem CID82731354
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name(3-ethylcyclohexyl)-(3-ethyl-2-pyridinyl)methanone
SMILESCCc1cccnc1C(=O)C1CCCC(CC)C1
InChIInChI=1S/C16H23NO/c1-3-12-7-5-8-14(11-12)16(18)15-13(4-2)9-6-10-17-15/h6,9-10,12,14H,3-5,7-8,11H2,1-2H3
InChIKeyRCLRVMHGOCPDPK-UHFFFAOYSA-N
XLogP4.04
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3-ethylcyclohexyl)-(2-ethylphenyl)methanone
CID 114976419
2-cyclohexyl-1-(3-ethyl-2-pyridinyl)ethanone
CID 82729797
(3-ethylcyclohexyl)-pyridazin-4-ylmethanone
CID 105106676
(3-ethylcyclohexyl)-(1-methylindazol-3-yl)methanone
CID 103124726
(3-ethylcyclohexyl)-(1H-1,2,4-triazol-5-yl)methanone
CID 65363445
(2-cyclobutylphenyl)-(3-ethylcyclohexyl)methanone
CID 114601910
(3-ethylcyclohexyl)-isoquinolin-5-ylmethanone
CID 65402119
(3-ethylcyclohexyl)-(4-ethylthiadiazol-5-yl)methanone
CID 105106758
(3-bromo-2-methylphenyl)-(3-ethylcyclohexyl)methanone
CID 114976475
(3-amino-2-pyridinyl)-cyclobutylmethanone
CID 116613925
(3-ethylcyclohexyl)-(4-propylphenyl)methanone
CID 65402525
(3-ethylcyclohexyl)-(4-methylsulfanylphenyl)methanone
CID 114976485

Frequently Asked Questions

What is the IUPAC name of (3-ethylcyclohexyl)-(3-ethyl-2-pyridinyl)methanone?
The IUPAC name of (3-ethylcyclohexyl)-(3-ethyl-2-pyridinyl)methanone (CID 82731354) is (3-ethylcyclohexyl)-(3-ethyl-2-pyridinyl)methanone.
What is the SMILES notation for (3-ethylcyclohexyl)-(3-ethyl-2-pyridinyl)methanone?
The canonical SMILES for (3-ethylcyclohexyl)-(3-ethyl-2-pyridinyl)methanone is CCc1cccnc1C(=O)C1CCCC(CC)C1.
What is the InChIKey of (3-ethylcyclohexyl)-(3-ethyl-2-pyridinyl)methanone?
The InChIKey is RCLRVMHGOCPDPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-3-12-7-5-8-14(11-12)16(18)15-13(4-2)9-6-10-17-15/h6,9-10,12,14H,3-5,7-8,11H2,1-2H3.
What are the key properties of (3-ethylcyclohexyl)-(3-ethyl-2-pyridinyl)methanone?
(3-ethylcyclohexyl)-(3-ethyl-2-pyridinyl)methanone has a molecular weight of 245.37 g/mol, XLogP of 4.04, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethylcyclohexyl)-(3-ethyl-2-pyridinyl)methanone is sourced from PubChem (CID 82731354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).