cyclohexyl-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone;ethane

C15H27NO — CID 145147974

IUPACcyclohexyl-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone;ethane
SMILESCC.CC1=CCN(C(=O)C2CCCCC2)CC1
InChIInChI=1S/C13H21NO.C2H6/c1-11-7-9-14(10-8-11)13(15)12-5-3-2-4-6-12;1-2/h7,12H,2-6,8-10H2,1H3;1-2H3
InChIKeyKFQAKWBCUVWOGU-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.77
Rot. Bonds1

About cyclohexyl-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone;ethane

cyclohexyl-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone;ethane (PubChem CID 145147974) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is cyclohexyl-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone;ethane.

Molecular Properties

Compound Namecyclohexyl-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone;ethane
PubChem CID145147974
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Namecyclohexyl-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone;ethane
SMILESCC.CC1=CCN(C(=O)C2CCCCC2)CC1
InChIInChI=1S/C13H21NO.C2H6/c1-11-7-9-14(10-8-11)13(15)12-5-3-2-4-6-12;1-2/h7,12H,2-6,8-10H2,1H3;1-2H3
InChIKeyKFQAKWBCUVWOGU-UHFFFAOYSA-N
XLogP3.77
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(3,6-Dihydropyridin-1(2H)-yl)-2-methylpentan-1-one
CID 602332
Cyclohexyl(3,6-dihydro-1(2H)-pyridinyl)methanone
CID 3047538
(Cyclohex-2-en-1-yl)(3,6-dihydropyridin-1(2H)-yl)methanone
CID 3059805
N-[2-(cyclohexen-1-yl)ethyl]cyclohexanecarboxamide
CID 4621429
N-[2-(1-but-2-yn-1-yl-1,2,5,6-tetrahydropyridin-3-yl)ethyl]cyclohexanecarboxamide
CID 50975791
3-[(5S)-3,5-difluorocyclohex-3-en-1-yl]-N-[(1S)-4-methylcyclohex-2-en-1-yl]-N-propylpropanamide
CID 122647561
(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-[4-(trifluoromethyl)cyclohexyl]methanone
CID 128104626
(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)-[4-(trifluoromethyl)cyclohexyl]methanone
CID 169023692
N,N-diethylcyclohex-3-ene-1-carboxamide
CID 304105
N,N-Diethyl-1,4-dimethylcyclohex-3-ene-1-carboxamide
CID 70476973
N,N-bis(prop-2-enyl)cyclohexanecarboxamide
CID 3284137
N,N-diethyl-8-methylnon-7-enamide
CID 11458780

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone;ethane?
The IUPAC name of cyclohexyl-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone;ethane (CID 145147974) is cyclohexyl-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone;ethane.
What is the SMILES notation for cyclohexyl-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone;ethane?
The canonical SMILES for cyclohexyl-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone;ethane is CC.CC1=CCN(C(=O)C2CCCCC2)CC1.
What is the InChIKey of cyclohexyl-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone;ethane?
The InChIKey is KFQAKWBCUVWOGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO.C2H6/c1-11-7-9-14(10-8-11)13(15)12-5-3-2-4-6-12;1-2/h7,12H,2-6,8-10H2,1H3;1-2H3.
What are the key properties of cyclohexyl-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone;ethane?
cyclohexyl-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone;ethane has a molecular weight of 237.39 g/mol, XLogP of 3.77, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone;ethane is sourced from PubChem (CID 145147974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).