2-(cyclohexen-1-yl)-1-(3,4-dihydro-2H-pyran-5-yl)-N-ethylethanamine

C15H25NO — CID 116661734

IUPAC2-(cyclohexen-1-yl)-1-(3,4-dihydro-2H-pyran-5-yl)-N-ethylethanamine
SMILESCCNC(CC1=CCCCC1)C1=COCCC1
InChIInChI=1S/C15H25NO/c1-2-16-15(14-9-6-10-17-12-14)11-13-7-4-3-5-8-13/h7,12,15-16H,2-6,8-11H2,1H3
InChIKeyJCLABNBXVFLMOA-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.55
Rot. Bonds5

About 2-(cyclohexen-1-yl)-1-(3,4-dihydro-2H-pyran-5-yl)-N-ethylethanamine

2-(cyclohexen-1-yl)-1-(3,4-dihydro-2H-pyran-5-yl)-N-ethylethanamine (PubChem CID 116661734) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-1-(3,4-dihydro-2H-pyran-5-yl)-N-ethylethanamine.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-1-(3,4-dihydro-2H-pyran-5-yl)-N-ethylethanamine
PubChem CID116661734
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name2-(cyclohexen-1-yl)-1-(3,4-dihydro-2H-pyran-5-yl)-N-ethylethanamine
SMILESCCNC(CC1=CCCCC1)C1=COCCC1
InChIInChI=1S/C15H25NO/c1-2-16-15(14-9-6-10-17-12-14)11-13-7-4-3-5-8-13/h7,12,15-16H,2-6,8-11H2,1H3
InChIKeyJCLABNBXVFLMOA-UHFFFAOYSA-N
XLogP3.55
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.55
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

N-[2-(cyclohexen-1-yl)-1-(3,4-dihydro-2H-pyran-5-yl)ethyl]propan-1-amine
CID 116662001
N-[1-(cyclohepten-1-yl)-2-(cyclohexen-1-yl)ethyl]propan-1-amine
CID 106654416
2-(cyclohexen-1-yl)-1-(2,5-dichlorophenyl)-N-ethylethanamine
CID 116661737
2-(cyclohexen-1-yl)-1-(4-ethoxyphenyl)-N-ethylethanamine
CID 116661833
2-(cyclohexen-1-yl)-N-ethyl-1-(1-ethylpyrazol-4-yl)ethanamine
CID 116661724
1-(3-chlorothiophen-2-yl)-2-(cyclohexen-1-yl)-N-ethylethanamine
CID 107360185
2-(cyclohexen-1-yl)-1-(3,4-dimethoxyphenyl)-N-ethylethanamine
CID 116661815
2-(cyclohexen-1-yl)-N-ethyl-1-(7-methyl-1-benzofuran-2-yl)ethanamine
CID 114731034
2-(cyclohexen-1-yl)-N-ethyl-1-(1-ethyl-4-methoxypyrazol-5-yl)ethanamine
CID 114660885
1-(3,4-dihydro-2H-pyran-5-yl)-N-ethyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
CID 103475828
1-(cyclohexen-1-yl)-N-ethyl-3-methylbut-3-en-2-amine
CID 116661717
1-(cyclohexen-1-yl)-N-ethyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 106652839

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexen-1-yl)-1-(3,4-dihydro-2H-pyran-5-yl)-N-ethylethanamine?
The IUPAC name of 2-(cyclohexen-1-yl)-1-(3,4-dihydro-2H-pyran-5-yl)-N-ethylethanamine (CID 116661734) is 2-(cyclohexen-1-yl)-1-(3,4-dihydro-2H-pyran-5-yl)-N-ethylethanamine.
What is the SMILES notation for 2-(cyclohexen-1-yl)-1-(3,4-dihydro-2H-pyran-5-yl)-N-ethylethanamine?
The canonical SMILES for 2-(cyclohexen-1-yl)-1-(3,4-dihydro-2H-pyran-5-yl)-N-ethylethanamine is CCNC(CC1=CCCCC1)C1=COCCC1.
What is the InChIKey of 2-(cyclohexen-1-yl)-1-(3,4-dihydro-2H-pyran-5-yl)-N-ethylethanamine?
The InChIKey is JCLABNBXVFLMOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-2-16-15(14-9-6-10-17-12-14)11-13-7-4-3-5-8-13/h7,12,15-16H,2-6,8-11H2,1H3.
What are the key properties of 2-(cyclohexen-1-yl)-1-(3,4-dihydro-2H-pyran-5-yl)-N-ethylethanamine?
2-(cyclohexen-1-yl)-1-(3,4-dihydro-2H-pyran-5-yl)-N-ethylethanamine has a molecular weight of 235.37 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-yl)-1-(3,4-dihydro-2H-pyran-5-yl)-N-ethylethanamine is sourced from PubChem (CID 116661734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).