2-(cyclohexen-1-yl)-N-ethyl-1-(oxan-4-yl)ethanamine

C15H27NO — CID 116661923

IUPAC2-(cyclohexen-1-yl)-N-ethyl-1-(oxan-4-yl)ethanamine
SMILESCCNC(CC1=CCCCC1)C1CCOCC1
InChIInChI=1S/C15H27NO/c1-2-16-15(14-8-10-17-11-9-14)12-13-6-4-3-5-7-13/h6,14-16H,2-5,7-12H2,1H3
InChIKeyJYVYDRRTYRRHAI-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.28
Rot. Bonds5

About 2-(cyclohexen-1-yl)-N-ethyl-1-(oxan-4-yl)ethanamine

2-(cyclohexen-1-yl)-N-ethyl-1-(oxan-4-yl)ethanamine (PubChem CID 116661923) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-N-ethyl-1-(oxan-4-yl)ethanamine.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-N-ethyl-1-(oxan-4-yl)ethanamine
PubChem CID116661923
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name2-(cyclohexen-1-yl)-N-ethyl-1-(oxan-4-yl)ethanamine
SMILESCCNC(CC1=CCCCC1)C1CCOCC1
InChIInChI=1S/C15H27NO/c1-2-16-15(14-8-10-17-11-9-14)12-13-6-4-3-5-7-13/h6,14-16H,2-5,7-12H2,1H3
InChIKeyJYVYDRRTYRRHAI-UHFFFAOYSA-N
XLogP3.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.28
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-[2-(3,4-dihydro-2H-pyran-6-yl)-2-fluoropropyl]piperidine
CID 102648262
3-[2-(Cyclohexen-1-yl)-2-fluoropropyl]morpholine
CID 106655073
3-[2-(Cyclohepten-1-yl)-2-fluoropropyl]morpholine
CID 106655074
3-[2-(Cycloocten-1-yl)-2-fluoropropyl]morpholine
CID 113860683
4-[(5S)-4,5-dipropylcyclohex-3-en-1-yl]oxypiperidine
CID 68083442
3-[(1R)-3-(methoxymethyl)cyclohex-3-en-1-yl]-N-propan-2-ylpropan-1-amine
CID 68340934
4-methyl-N-[4-(oxan-4-ylidene)butyl]hexan-2-amine
CID 123759937
4-[[5-[3-[3-[4-(cyclohexen-1-yl)cyclohexyl]cyclohex-3-en-1-yl]propyl]-3-(oxan-4-yl)cyclohex-2-en-1-yl]methyl]-N-propylcyclohex-3-en-1-amine
CID 130182493
2-(1-Cyclohepta-1,3,6-trien-1-yl-2-methoxyethyl)piperidine
CID 143554033
N-ethyl-8-methoxy-7-methyl-1,2,3,5,6,7,8,8a-octahydronaphthalen-2-amine
CID 163962157
(2R,5S)-2-(3,6-dihydro-2H-pyran-4-yl)-5-methylpiperidine
CID 169113536
5-(Oxan-4-yl)-1,2,3,4,7,8-hexahydroazocine
CID 173708062

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexen-1-yl)-N-ethyl-1-(oxan-4-yl)ethanamine?
The IUPAC name of 2-(cyclohexen-1-yl)-N-ethyl-1-(oxan-4-yl)ethanamine (CID 116661923) is 2-(cyclohexen-1-yl)-N-ethyl-1-(oxan-4-yl)ethanamine.
What is the SMILES notation for 2-(cyclohexen-1-yl)-N-ethyl-1-(oxan-4-yl)ethanamine?
The canonical SMILES for 2-(cyclohexen-1-yl)-N-ethyl-1-(oxan-4-yl)ethanamine is CCNC(CC1=CCCCC1)C1CCOCC1.
What is the InChIKey of 2-(cyclohexen-1-yl)-N-ethyl-1-(oxan-4-yl)ethanamine?
The InChIKey is JYVYDRRTYRRHAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO/c1-2-16-15(14-8-10-17-11-9-14)12-13-6-4-3-5-7-13/h6,14-16H,2-5,7-12H2,1H3.
What are the key properties of 2-(cyclohexen-1-yl)-N-ethyl-1-(oxan-4-yl)ethanamine?
2-(cyclohexen-1-yl)-N-ethyl-1-(oxan-4-yl)ethanamine has a molecular weight of 237.39 g/mol, XLogP of 3.28, 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)-N-ethyl-1-(oxan-4-yl)ethanamine is sourced from PubChem (CID 116661923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).