ethane;6-[(3-ethylcyclohex-2-en-1-yl)methyl]-1,4,5,6-tetrahydropyrimidine

C15H28N2 — CID 142171926

IUPACethane;6-[(3-ethylcyclohex-2-en-1-yl)methyl]-1,4,5,6-tetrahydropyrimidine
SMILESCC.CCC1=CC(CC2CCN=CN2)CCC1
InChIInChI=1S/C13H22N2.C2H6/c1-2-11-4-3-5-12(8-11)9-13-6-7-14-10-15-13;1-2/h8,10,12-13H,2-7,9H2,1H3,(H,14,15);1-2H3
InChIKeyILVLPBBGDTYUCX-UHFFFAOYSA-N
MW236.40 g/mol
LogP3.93
Rot. Bonds3

About ethane;6-[(3-ethylcyclohex-2-en-1-yl)methyl]-1,4,5,6-tetrahydropyrimidine

ethane;6-[(3-ethylcyclohex-2-en-1-yl)methyl]-1,4,5,6-tetrahydropyrimidine (PubChem CID 142171926) has the molecular formula C15H28N2 and a molecular weight of 236.40 g/mol. Its IUPAC name is ethane;6-[(3-ethylcyclohex-2-en-1-yl)methyl]-1,4,5,6-tetrahydropyrimidine.

Molecular Properties

Compound Nameethane;6-[(3-ethylcyclohex-2-en-1-yl)methyl]-1,4,5,6-tetrahydropyrimidine
PubChem CID142171926
Molecular FormulaC15H28N2
Molecular Weight236.40 g/mol
Exact Mass236.23
IUPAC Nameethane;6-[(3-ethylcyclohex-2-en-1-yl)methyl]-1,4,5,6-tetrahydropyrimidine
SMILESCC.CCC1=CC(CC2CCN=CN2)CCC1
InChIInChI=1S/C13H22N2.C2H6/c1-2-11-4-3-5-12(8-11)9-13-6-7-14-10-15-13;1-2/h8,10,12-13H,2-7,9H2,1H3,(H,14,15);1-2H3
InChIKeyILVLPBBGDTYUCX-UHFFFAOYSA-N
XLogP3.93
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Chloro-6-[6-(4-fluoro-5-methylcyclohex-2-en-1-yl)-1,2,3,6-tetrahydropyridin-5-yl]-1,4,5,6-tetrahydropyrimidine
CID 167216833
5-[(4-methylcyclohex-2-en-1-yl)methyl]-4,5-dihydro-1H-imidazole
CID 66658868
5-[(3,5,5-trimethylcyclohex-2-en-1-yl)methyl]-4,5-dihydro-1H-imidazole
CID 66659577
5-[(3-methylcyclohex-2-en-1-yl)methyl]-4,5-dihydro-1H-imidazole
CID 68014673
N'-[(1,2-dimethylpiperidin-3-yl)-(3-methylcyclohex-2-en-1-yl)methyl]-N-(4-methylpentan-2-yl)ethanimidamide
CID 68029957
5-[[(2R,4aS)-4a-methyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-yl]methyl]-4,5-dihydro-1H-imidazole
CID 71083150
5-[(4a-methyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-yl)methyl]-4,5-dihydro-1H-imidazole
CID 71083178
10-Methyl-5-propan-2-yl-7,9-diazabicyclo[4.3.1]deca-2,4,7-triene
CID 91183552
5-methyl-7-(9-methyl-4-methylidenedodec-10-enyl)-4,5,6,7-tetrahydro-1H-1,3-diazepine
CID 123598624
4-Methyl-5-propyl-3,4,4a,5,6,8a-hexahydroquinazolin-2-amine
CID 123838377
N-(1-amino-2,6-dimethyl-5-methylideneoctyl)-N'-[(4-methylcyclohexa-2,4-dien-1-yl)methyl]methanimidamide
CID 124112862
2-Chloro-4,6-di(cyclohex-2-en-1-yl)-1,4,5,6-tetrahydropyrimidine
CID 163457536

Frequently Asked Questions

What is the IUPAC name of ethane;6-[(3-ethylcyclohex-2-en-1-yl)methyl]-1,4,5,6-tetrahydropyrimidine?
The IUPAC name of ethane;6-[(3-ethylcyclohex-2-en-1-yl)methyl]-1,4,5,6-tetrahydropyrimidine (CID 142171926) is ethane;6-[(3-ethylcyclohex-2-en-1-yl)methyl]-1,4,5,6-tetrahydropyrimidine.
What is the SMILES notation for ethane;6-[(3-ethylcyclohex-2-en-1-yl)methyl]-1,4,5,6-tetrahydropyrimidine?
The canonical SMILES for ethane;6-[(3-ethylcyclohex-2-en-1-yl)methyl]-1,4,5,6-tetrahydropyrimidine is CC.CCC1=CC(CC2CCN=CN2)CCC1.
What is the InChIKey of ethane;6-[(3-ethylcyclohex-2-en-1-yl)methyl]-1,4,5,6-tetrahydropyrimidine?
The InChIKey is ILVLPBBGDTYUCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2.C2H6/c1-2-11-4-3-5-12(8-11)9-13-6-7-14-10-15-13;1-2/h8,10,12-13H,2-7,9H2,1H3,(H,14,15);1-2H3.
What are the key properties of ethane;6-[(3-ethylcyclohex-2-en-1-yl)methyl]-1,4,5,6-tetrahydropyrimidine?
ethane;6-[(3-ethylcyclohex-2-en-1-yl)methyl]-1,4,5,6-tetrahydropyrimidine has a molecular weight of 236.40 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-[(3-ethylcyclohex-2-en-1-yl)methyl]-1,4,5,6-tetrahydropyrimidine is sourced from PubChem (CID 142171926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).