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

C12H21NO — CID 102647140

IUPACcyclohexyl(3,4-dihydro-2H-pyran-6-yl)methanamine
SMILESNC(C1=CCCCO1)C1CCCCC1
InChIInChI=1S/C12H21NO/c13-12(10-6-2-1-3-7-10)11-8-4-5-9-14-11/h8,10,12H,1-7,9,13H2
InChIKeyWZRHENGPDOWCBY-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.59
Rot. Bonds2

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

cyclohexyl(3,4-dihydro-2H-pyran-6-yl)methanamine (PubChem CID 102647140) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is cyclohexyl(3,4-dihydro-2H-pyran-6-yl)methanamine.

Molecular Properties

Compound Namecyclohexyl(3,4-dihydro-2H-pyran-6-yl)methanamine
PubChem CID102647140
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Namecyclohexyl(3,4-dihydro-2H-pyran-6-yl)methanamine
SMILESNC(C1=CCCCO1)C1CCCCC1
InChIInChI=1S/C12H21NO/c13-12(10-6-2-1-3-7-10)11-8-4-5-9-14-11/h8,10,12H,1-7,9,13H2
InChIKeyWZRHENGPDOWCBY-UHFFFAOYSA-N
XLogP2.59
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.59
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 cyclohexyl(3,4-dihydro-2H-pyran-6-yl)methanamine?
The IUPAC name of cyclohexyl(3,4-dihydro-2H-pyran-6-yl)methanamine (CID 102647140) is cyclohexyl(3,4-dihydro-2H-pyran-6-yl)methanamine.
What is the SMILES notation for cyclohexyl(3,4-dihydro-2H-pyran-6-yl)methanamine?
The canonical SMILES for cyclohexyl(3,4-dihydro-2H-pyran-6-yl)methanamine is NC(C1=CCCCO1)C1CCCCC1.
What is the InChIKey of cyclohexyl(3,4-dihydro-2H-pyran-6-yl)methanamine?
The InChIKey is WZRHENGPDOWCBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c13-12(10-6-2-1-3-7-10)11-8-4-5-9-14-11/h8,10,12H,1-7,9,13H2.
What are the key properties of cyclohexyl(3,4-dihydro-2H-pyran-6-yl)methanamine?
cyclohexyl(3,4-dihydro-2H-pyran-6-yl)methanamine has a molecular weight of 195.31 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl(3,4-dihydro-2H-pyran-6-yl)methanamine is sourced from PubChem (CID 102647140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).