N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-methylcyclohexan-1-amine

C13H23NO — CID 115741971

IUPACN-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-methylcyclohexan-1-amine
SMILESCC1(NCC2=CCCOC2)CCCCC1
InChIInChI=1S/C13H23NO/c1-13(7-3-2-4-8-13)14-10-12-6-5-9-15-11-12/h6,14H,2-5,7-11H2,1H3
InChIKeyXPJHGHOUILHXIW-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.65
Rot. Bonds3

About N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-methylcyclohexan-1-amine

N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-methylcyclohexan-1-amine (PubChem CID 115741971) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-methylcyclohexan-1-amine.

Molecular Properties

Compound NameN-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-methylcyclohexan-1-amine
PubChem CID115741971
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC NameN-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-methylcyclohexan-1-amine
SMILESCC1(NCC2=CCCOC2)CCCCC1
InChIInChI=1S/C13H23NO/c1-13(7-3-2-4-8-13)14-10-12-6-5-9-15-11-12/h6,14H,2-5,7-11H2,1H3
InChIKeyXPJHGHOUILHXIW-UHFFFAOYSA-N
XLogP2.65
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 ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-methylcyclohexan-1-amine?
The IUPAC name of N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-methylcyclohexan-1-amine (CID 115741971) is N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-methylcyclohexan-1-amine.
What is the SMILES notation for N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-methylcyclohexan-1-amine?
The canonical SMILES for N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-methylcyclohexan-1-amine is CC1(NCC2=CCCOC2)CCCCC1.
What is the InChIKey of N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-methylcyclohexan-1-amine?
The InChIKey is XPJHGHOUILHXIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-13(7-3-2-4-8-13)14-10-12-6-5-9-15-11-12/h6,14H,2-5,7-11H2,1H3.
What are the key properties of N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-methylcyclohexan-1-amine?
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-methylcyclohexan-1-amine has a molecular weight of 209.33 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-methylcyclohexan-1-amine is sourced from PubChem (CID 115741971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).