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

C13H23NO — CID 62065056

IUPACN-(3,4-dihydro-2H-pyran-2-ylmethyl)-4-methylcyclohexan-1-amine
SMILESCC1CCC(NCC2CCC=CO2)CC1
InChIInChI=1S/C13H23NO/c1-11-5-7-12(8-6-11)14-10-13-4-2-3-9-15-13/h3,9,11-14H,2,4-8,10H2,1H3
InChIKeyHPRGXLLCTVTOLR-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.85
Rot. Bonds3

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

N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4-methylcyclohexan-1-amine (PubChem CID 62065056) 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)-4-methylcyclohexan-1-amine.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-pyran-2-ylmethyl)-4-methylcyclohexan-1-amine
PubChem CID62065056
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC NameN-(3,4-dihydro-2H-pyran-2-ylmethyl)-4-methylcyclohexan-1-amine
SMILESCC1CCC(NCC2CCC=CO2)CC1
InChIInChI=1S/C13H23NO/c1-11-5-7-12(8-6-11)14-10-13-4-2-3-9-15-13/h3,9,11-14H,2,4-8,10H2,1H3
InChIKeyHPRGXLLCTVTOLR-UHFFFAOYSA-N
XLogP2.85
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 ≤ 52.85
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)-4-methylcyclohexan-1-amine?
The IUPAC name of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4-methylcyclohexan-1-amine (CID 62065056) is N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4-methylcyclohexan-1-amine.
What is the SMILES notation for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4-methylcyclohexan-1-amine?
The canonical SMILES for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4-methylcyclohexan-1-amine is CC1CCC(NCC2CCC=CO2)CC1.
What is the InChIKey of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4-methylcyclohexan-1-amine?
The InChIKey is HPRGXLLCTVTOLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-11-5-7-12(8-6-11)14-10-13-4-2-3-9-15-13/h3,9,11-14H,2,4-8,10H2,1H3.
What are the key properties of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4-methylcyclohexan-1-amine?
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4-methylcyclohexan-1-amine has a molecular weight of 209.33 g/mol, XLogP of 2.85, 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)-4-methylcyclohexan-1-amine is sourced from PubChem (CID 62065056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).