1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-1-(3-methylcyclopentyl)methanamine

C13H23NO — CID 102647602

IUPAC1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-1-(3-methylcyclopentyl)methanamine
SMILESCNC(C1=CCCCO1)C1CCC(C)C1
InChIInChI=1S/C13H23NO/c1-10-6-7-11(9-10)13(14-2)12-5-3-4-8-15-12/h5,10-11,13-14H,3-4,6-9H2,1-2H3
InChIKeyVMTPQLGKTDXORQ-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.70
Rot. Bonds3

About 1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-1-(3-methylcyclopentyl)methanamine

1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-1-(3-methylcyclopentyl)methanamine (PubChem CID 102647602) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-1-(3-methylcyclopentyl)methanamine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-1-(3-methylcyclopentyl)methanamine
PubChem CID102647602
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-1-(3-methylcyclopentyl)methanamine
SMILESCNC(C1=CCCCO1)C1CCC(C)C1
InChIInChI=1S/C13H23NO/c1-10-6-7-11(9-10)13(14-2)12-5-3-4-8-15-12/h5,10-11,13-14H,3-4,6-9H2,1-2H3
InChIKeyVMTPQLGKTDXORQ-UHFFFAOYSA-N
XLogP2.70
TPSA21.26 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 ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bicyclo[3.1.0]hexanyl)-1-(3,4-dihydro-2H-pyran-6-yl)-N-methylmethanamine
CID 102649558
1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-1-(2-methylcyclopropyl)methanamine
CID 102647624
1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine
CID 102648003
1-(4-butylcyclohexyl)-1-(3,4-dihydro-2H-pyran-6-yl)-N-methylmethanamine
CID 102649544
1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-1-(2-methylcyclopentyl)methanamine
CID 107191585
1-cyclohexyl-1-(2,3-dihydrofuran-5-yl)-N-methylmethanamine
CID 102651300
1-(2,3-dihydrofuran-5-yl)-1-(3-ethylcyclohexyl)-N-methylmethanamine
CID 102651699
1-[3,4-dihydro-2H-pyran-6-yl(methylamino)methyl]-N,N,4-trimethylcyclohexan-1-amine
CID 102647752
[3,4-dihydro-2H-pyran-6-yl-(5-methyloxolan-3-yl)methyl]hydrazine
CID 102650408
N-[(4-tert-butylcyclohexyl)-(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine
CID 102647597
1-(3,4-dihydro-2H-pyran-6-yl)-N-methylpropan-1-amine
CID 102647204
[cycloocten-1-yl-(3-methylcyclopentyl)methyl]hydrazine
CID 106649073

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-1-(3-methylcyclopentyl)methanamine?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-1-(3-methylcyclopentyl)methanamine (CID 102647602) is 1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-1-(3-methylcyclopentyl)methanamine.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-1-(3-methylcyclopentyl)methanamine?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-1-(3-methylcyclopentyl)methanamine is CNC(C1=CCCCO1)C1CCC(C)C1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-1-(3-methylcyclopentyl)methanamine?
The InChIKey is VMTPQLGKTDXORQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-10-6-7-11(9-10)13(14-2)12-5-3-4-8-15-12/h5,10-11,13-14H,3-4,6-9H2,1-2H3.
What are the key properties of 1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-1-(3-methylcyclopentyl)methanamine?
1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-1-(3-methylcyclopentyl)methanamine has a molecular weight of 209.33 g/mol, XLogP of 2.70, 3 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)-N-methyl-1-(3-methylcyclopentyl)methanamine is sourced from PubChem (CID 102647602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).