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

C13H23NO — CID 102647310

IUPAC3,4-dihydro-2H-pyran-6-yl-(3-methylcyclohexyl)methanamine
SMILESCC1CCCC(C(N)C2=CCCCO2)C1
InChIInChI=1S/C13H23NO/c1-10-5-4-6-11(9-10)13(14)12-7-2-3-8-15-12/h7,10-11,13H,2-6,8-9,14H2,1H3
InChIKeyQDHLBDWFPWJCRL-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.83
Rot. Bonds2

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

3,4-dihydro-2H-pyran-6-yl-(3-methylcyclohexyl)methanamine (PubChem CID 102647310) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 3,4-dihydro-2H-pyran-6-yl-(3-methylcyclohexyl)methanamine.

Molecular Properties

Compound Name3,4-dihydro-2H-pyran-6-yl-(3-methylcyclohexyl)methanamine
PubChem CID102647310
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name3,4-dihydro-2H-pyran-6-yl-(3-methylcyclohexyl)methanamine
SMILESCC1CCCC(C(N)C2=CCCCO2)C1
InChIInChI=1S/C13H23NO/c1-10-5-4-6-11(9-10)13(14)12-7-2-3-8-15-12/h7,10-11,13H,2-6,8-9,14H2,1H3
InChIKeyQDHLBDWFPWJCRL-UHFFFAOYSA-N
XLogP2.83
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3,4-dihydro-2H-pyran-6-yl-[3-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine
CID 102648859
(4,4-difluorocyclohexyl)-(3,4-dihydro-2H-pyran-6-yl)methanamine
CID 102649150
1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-1-[3-(trifluoromethyl)cyclohexyl]methanamine
CID 102649388
3,4-dihydro-2H-pyran-6-yl-[2-(trifluoromethyl)cyclohexyl]methanamine
CID 102649495
N-[3,4-dihydro-2H-pyran-6-yl-[3-(trifluoromethyl)cyclohexyl]methyl]ethanamine
CID 102649626
2,3-Dihydrofuran-5-yl-[3-(trifluoromethyl)cyclohexyl]methanamine
CID 102653077
2,3-Dihydrofuran-5-yl-[4-(trifluoromethyl)cyclohexyl]methanamine
CID 102653422
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
2-Butan-2-yloxy-1-cyclohexylprop-2-en-1-amine
CID 90874517
3-(1-Oxaspiro[5.5]undecan-4-yl)cyclopent-2-en-1-amine
CID 79924117
cyclohexyl(3,4-dihydro-2H-pyran-6-yl)methanamine
CID 102647140

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-pyran-6-yl-(3-methylcyclohexyl)methanamine?
The IUPAC name of 3,4-dihydro-2H-pyran-6-yl-(3-methylcyclohexyl)methanamine (CID 102647310) is 3,4-dihydro-2H-pyran-6-yl-(3-methylcyclohexyl)methanamine.
What is the SMILES notation for 3,4-dihydro-2H-pyran-6-yl-(3-methylcyclohexyl)methanamine?
The canonical SMILES for 3,4-dihydro-2H-pyran-6-yl-(3-methylcyclohexyl)methanamine is CC1CCCC(C(N)C2=CCCCO2)C1.
What is the InChIKey of 3,4-dihydro-2H-pyran-6-yl-(3-methylcyclohexyl)methanamine?
The InChIKey is QDHLBDWFPWJCRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-10-5-4-6-11(9-10)13(14)12-7-2-3-8-15-12/h7,10-11,13H,2-6,8-9,14H2,1H3.
What are the key properties of 3,4-dihydro-2H-pyran-6-yl-(3-methylcyclohexyl)methanamine?
3,4-dihydro-2H-pyran-6-yl-(3-methylcyclohexyl)methanamine has a molecular weight of 209.33 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-pyran-6-yl-(3-methylcyclohexyl)methanamine is sourced from PubChem (CID 102647310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).