N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-methylcyclohexan-1-amine

C13H23NO — CID 62064943

IUPACN-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-methylcyclohexan-1-amine
SMILESCC1(NCC2CCC=CO2)CCCCC1
InChIInChI=1S/C13H23NO/c1-13(8-4-2-5-9-13)14-11-12-7-3-6-10-15-12/h6,10,12,14H,2-5,7-9,11H2,1H3
InChIKeyPIFBNUFFCVORAZ-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.99
Rot. Bonds3

About N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-methylcyclohexan-1-amine

N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-methylcyclohexan-1-amine (PubChem CID 62064943) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-methylcyclohexan-1-amine.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-methylcyclohexan-1-amine
PubChem CID62064943
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC NameN-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-methylcyclohexan-1-amine
SMILESCC1(NCC2CCC=CO2)CCCCC1
InChIInChI=1S/C13H23NO/c1-13(8-4-2-5-9-13)14-11-12-7-3-6-10-15-12/h6,10,12,14H,2-5,7-9,11H2,1H3
InChIKeyPIFBNUFFCVORAZ-UHFFFAOYSA-N
XLogP2.99
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 ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-methylcyclohexan-1-amine?
The IUPAC name of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-methylcyclohexan-1-amine (CID 62064943) is N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-methylcyclohexan-1-amine.
What is the SMILES notation for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-methylcyclohexan-1-amine?
The canonical SMILES for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-methylcyclohexan-1-amine is CC1(NCC2CCC=CO2)CCCCC1.
What is the InChIKey of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-methylcyclohexan-1-amine?
The InChIKey is PIFBNUFFCVORAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-13(8-4-2-5-9-13)14-11-12-7-3-6-10-15-12/h6,10,12,14H,2-5,7-9,11H2,1H3.
What are the key properties of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-methylcyclohexan-1-amine?
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-methylcyclohexan-1-amine has a molecular weight of 209.33 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-methylcyclohexan-1-amine is sourced from PubChem (CID 62064943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).