2-(cyclohexen-1-yl)-1-(3,4-dihydro-2H-pyran-6-yl)-N-ethylethanamine

C15H25NO — CID 102648050

IUPAC2-(cyclohexen-1-yl)-1-(3,4-dihydro-2H-pyran-6-yl)-N-ethylethanamine
SMILESCCNC(CC1=CCCCC1)C1=CCCCO1
InChIInChI=1S/C15H25NO/c1-2-16-14(15-10-6-7-11-17-15)12-13-8-4-3-5-9-13/h8,10,14,16H,2-7,9,11-12H2,1H3
InChIKeyRXJCGBGGXQILRD-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.55
Rot. Bonds5

About 2-(cyclohexen-1-yl)-1-(3,4-dihydro-2H-pyran-6-yl)-N-ethylethanamine

2-(cyclohexen-1-yl)-1-(3,4-dihydro-2H-pyran-6-yl)-N-ethylethanamine (PubChem CID 102648050) 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-6-yl)-N-ethylethanamine.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-1-(3,4-dihydro-2H-pyran-6-yl)-N-ethylethanamine
PubChem CID102648050
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name2-(cyclohexen-1-yl)-1-(3,4-dihydro-2H-pyran-6-yl)-N-ethylethanamine
SMILESCCNC(CC1=CCCCC1)C1=CCCCO1
InChIInChI=1S/C15H25NO/c1-2-16-14(15-10-6-7-11-17-15)12-13-8-4-3-5-9-13/h8,10,14,16H,2-7,9,11-12H2,1H3
InChIKeyRXJCGBGGXQILRD-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

Hexahydro-1,4-benzoxazine
CID 90079510
N-[(4,4-difluorocyclohexyl)-(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine
CID 102649634
1-(cyclohexen-1-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103207501
1-(cyclohexen-1-yl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103207503
1-(cyclohexen-1-yl)-N-ethyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
CID 106654847
N-[1-(cyclohexen-1-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethyl]propan-1-amine
CID 106654850
1-(4,4-difluorocyclohexyl)-1-(3,4-dihydro-2H-pyran-6-yl)-N-methylmethanamine
CID 113720496
N-[(4,4-difluorocyclohexyl)-(3,4-dihydro-2H-pyran-6-yl)methyl]ethanamine
CID 113720622
N-[1-(cyclohexen-1-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine
CID 113788173
1-(3,3-difluorocyclohexyl)-1-(3,4-dihydro-2H-pyran-6-yl)-N-methylmethanamine
CID 114215980
N-propyl-6-methoxy-1,2,3,5-tetrahydro-2-naphthylamine
CID 20456202
2-(cyclohexen-1-yl)-N-(2-undecoxyethyl)ethanamine
CID 22091473

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexen-1-yl)-1-(3,4-dihydro-2H-pyran-6-yl)-N-ethylethanamine?
The IUPAC name of 2-(cyclohexen-1-yl)-1-(3,4-dihydro-2H-pyran-6-yl)-N-ethylethanamine (CID 102648050) is 2-(cyclohexen-1-yl)-1-(3,4-dihydro-2H-pyran-6-yl)-N-ethylethanamine.
What is the SMILES notation for 2-(cyclohexen-1-yl)-1-(3,4-dihydro-2H-pyran-6-yl)-N-ethylethanamine?
The canonical SMILES for 2-(cyclohexen-1-yl)-1-(3,4-dihydro-2H-pyran-6-yl)-N-ethylethanamine is CCNC(CC1=CCCCC1)C1=CCCCO1.
What is the InChIKey of 2-(cyclohexen-1-yl)-1-(3,4-dihydro-2H-pyran-6-yl)-N-ethylethanamine?
The InChIKey is RXJCGBGGXQILRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-2-16-14(15-10-6-7-11-17-15)12-13-8-4-3-5-9-13/h8,10,14,16H,2-7,9,11-12H2,1H3.
What are the key properties of 2-(cyclohexen-1-yl)-1-(3,4-dihydro-2H-pyran-6-yl)-N-ethylethanamine?
2-(cyclohexen-1-yl)-1-(3,4-dihydro-2H-pyran-6-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-6-yl)-N-ethylethanamine is sourced from PubChem (CID 102648050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).