1-(3,4-dihydro-2H-pyran-6-yl)-1-(4-ethylcyclohexyl)-N-methylmethanamine

C15H27NO — CID 102647578

IUPAC1-(3,4-dihydro-2H-pyran-6-yl)-1-(4-ethylcyclohexyl)-N-methylmethanamine
SMILESCCC1CCC(C(NC)C2=CCCCO2)CC1
InChIInChI=1S/C15H27NO/c1-3-12-7-9-13(10-8-12)15(16-2)14-6-4-5-11-17-14/h6,12-13,15-16H,3-5,7-11H2,1-2H3
InChIKeyLSXKSLCPPZZOES-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.49
Rot. Bonds4

About 1-(3,4-dihydro-2H-pyran-6-yl)-1-(4-ethylcyclohexyl)-N-methylmethanamine

1-(3,4-dihydro-2H-pyran-6-yl)-1-(4-ethylcyclohexyl)-N-methylmethanamine (PubChem CID 102647578) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-6-yl)-1-(4-ethylcyclohexyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-6-yl)-1-(4-ethylcyclohexyl)-N-methylmethanamine
PubChem CID102647578
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name1-(3,4-dihydro-2H-pyran-6-yl)-1-(4-ethylcyclohexyl)-N-methylmethanamine
SMILESCCC1CCC(C(NC)C2=CCCCO2)CC1
InChIInChI=1S/C15H27NO/c1-3-12-7-9-13(10-8-12)15(16-2)14-6-4-5-11-17-14/h6,12-13,15-16H,3-5,7-11H2,1-2H3
InChIKeyLSXKSLCPPZZOES-UHFFFAOYSA-N
XLogP3.49
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3,4-dihydro-2H-pyran-6-yl-[2-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine
CID 102648765
N-[3,4-dihydro-2H-pyran-6-yl-[3-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine
CID 102648859
N-[3,4-dihydro-2H-pyran-6-yl-[4-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine
CID 102648887
N-[3,4-dihydro-2H-pyran-6-yl-[4-(trifluoromethyl)cyclohexyl]methyl]ethanamine
CID 102648944
N-[3,4-dihydro-2H-pyran-6-yl-[2-(trifluoromethyl)cyclohexyl]methyl]ethanamine
CID 102649283
1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-1-[3-(trifluoromethyl)cyclohexyl]methanamine
CID 102649388
1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-1-[4-(trifluoromethyl)cyclohexyl]methanamine
CID 102649506
1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-1-[2-(trifluoromethyl)cyclohexyl]methanamine
CID 102649615
N-[3,4-dihydro-2H-pyran-6-yl-[3-(trifluoromethyl)cyclohexyl]methyl]ethanamine
CID 102649626
N-[(4,4-difluorocyclohexyl)-(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine
CID 102649634
1-(4,4-difluorocyclohexyl)-1-(2,3-dihydrofuran-5-yl)-N-methylmethanamine
CID 102652898
N-[2,3-dihydrofuran-5-yl-[2-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine
CID 102652911

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-1-(4-ethylcyclohexyl)-N-methylmethanamine?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-1-(4-ethylcyclohexyl)-N-methylmethanamine (CID 102647578) is 1-(3,4-dihydro-2H-pyran-6-yl)-1-(4-ethylcyclohexyl)-N-methylmethanamine.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-6-yl)-1-(4-ethylcyclohexyl)-N-methylmethanamine?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-6-yl)-1-(4-ethylcyclohexyl)-N-methylmethanamine is CCC1CCC(C(NC)C2=CCCCO2)CC1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-6-yl)-1-(4-ethylcyclohexyl)-N-methylmethanamine?
The InChIKey is LSXKSLCPPZZOES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO/c1-3-12-7-9-13(10-8-12)15(16-2)14-6-4-5-11-17-14/h6,12-13,15-16H,3-5,7-11H2,1-2H3.
What are the key properties of 1-(3,4-dihydro-2H-pyran-6-yl)-1-(4-ethylcyclohexyl)-N-methylmethanamine?
1-(3,4-dihydro-2H-pyran-6-yl)-1-(4-ethylcyclohexyl)-N-methylmethanamine has a molecular weight of 237.39 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-pyran-6-yl)-1-(4-ethylcyclohexyl)-N-methylmethanamine is sourced from PubChem (CID 102647578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).