2-cyclohexyl-1-(3,4-dihydro-2H-pyran-6-yl)ethanamine

C13H23NO — CID 102648982

IUPAC2-cyclohexyl-1-(3,4-dihydro-2H-pyran-6-yl)ethanamine
SMILESNC(CC1CCCCC1)C1=CCCCO1
InChIInChI=1S/C13H23NO/c14-12(13-8-4-5-9-15-13)10-11-6-2-1-3-7-11/h8,11-12H,1-7,9-10,14H2
InChIKeyXQWNMYSZSOLAFQ-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.98
Rot. Bonds3

About 2-cyclohexyl-1-(3,4-dihydro-2H-pyran-6-yl)ethanamine

2-cyclohexyl-1-(3,4-dihydro-2H-pyran-6-yl)ethanamine (PubChem CID 102648982) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 2-cyclohexyl-1-(3,4-dihydro-2H-pyran-6-yl)ethanamine.

Molecular Properties

Compound Name2-cyclohexyl-1-(3,4-dihydro-2H-pyran-6-yl)ethanamine
PubChem CID102648982
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name2-cyclohexyl-1-(3,4-dihydro-2H-pyran-6-yl)ethanamine
SMILESNC(CC1CCCCC1)C1=CCCCO1
InChIInChI=1S/C13H23NO/c14-12(13-8-4-5-9-15-13)10-11-6-2-1-3-7-11/h8,11-12H,1-7,9-10,14H2
InChIKeyXQWNMYSZSOLAFQ-UHFFFAOYSA-N
XLogP2.98
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3,4-dihydro-2H-pyran-6-yl)-3-fluorocyclohexan-1-amine
CID 102648257
(4,4-difluorocyclohexyl)-(3,4-dihydro-2H-pyran-6-yl)methanamine
CID 102649150
3,4-dihydro-2H-pyran-6-yl-[2-(trifluoromethyl)cyclohexyl]methanamine
CID 102649495
N-[(4,4-difluorocyclohexyl)-(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine
CID 102649634
[(4,4-difluorocyclohexyl)-(3,4-dihydro-2H-pyran-6-yl)methyl]hydrazine
CID 102650320
2,3-Dihydrofuran-5-yl-[3-(trifluoromethyl)cyclohexyl]methanamine
CID 102653077
(4,4-Difluorocyclohexyl)-(2,3-dihydrofuran-5-yl)methanamine
CID 102653305
2,3-Dihydrofuran-5-yl-[4-(trifluoromethyl)cyclohexyl]methanamine
CID 102653422
2,3-Dihydrofuran-5-yl-[2-(trifluoromethyl)cyclohexyl]methanamine
CID 102653653
1-(4,4-difluorocyclohexyl)-1-(3,4-dihydro-2H-pyran-6-yl)-N-methylmethanamine
CID 113720496
3,4-dihydro-2H-pyran-6-yl-[3-(trifluoromethyl)cyclohexyl]methanamine
CID 113720519
3,4-dihydro-2H-pyran-6-yl-[4-(trifluoromethyl)cyclohexyl]methanamine
CID 113720576

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1-(3,4-dihydro-2H-pyran-6-yl)ethanamine?
The IUPAC name of 2-cyclohexyl-1-(3,4-dihydro-2H-pyran-6-yl)ethanamine (CID 102648982) is 2-cyclohexyl-1-(3,4-dihydro-2H-pyran-6-yl)ethanamine.
What is the SMILES notation for 2-cyclohexyl-1-(3,4-dihydro-2H-pyran-6-yl)ethanamine?
The canonical SMILES for 2-cyclohexyl-1-(3,4-dihydro-2H-pyran-6-yl)ethanamine is NC(CC1CCCCC1)C1=CCCCO1.
What is the InChIKey of 2-cyclohexyl-1-(3,4-dihydro-2H-pyran-6-yl)ethanamine?
The InChIKey is XQWNMYSZSOLAFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c14-12(13-8-4-5-9-15-13)10-11-6-2-1-3-7-11/h8,11-12H,1-7,9-10,14H2.
What are the key properties of 2-cyclohexyl-1-(3,4-dihydro-2H-pyran-6-yl)ethanamine?
2-cyclohexyl-1-(3,4-dihydro-2H-pyran-6-yl)ethanamine has a molecular weight of 209.33 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-(3,4-dihydro-2H-pyran-6-yl)ethanamine is sourced from PubChem (CID 102648982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).