N-(3,6-dihydro-2H-pyran-5-ylmethyl)-4-methylcyclohexan-1-amine

C13H23NO — CID 103816300

IUPACN-(3,6-dihydro-2H-pyran-5-ylmethyl)-4-methylcyclohexan-1-amine
SMILESCC1CCC(NCC2=CCCOC2)CC1
InChIInChI=1S/C13H23NO/c1-11-4-6-13(7-5-11)14-9-12-3-2-8-15-10-12/h3,11,13-14H,2,4-10H2,1H3
InChIKeyBVGGRZHUBFLJMI-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.50
Rot. Bonds3

About N-(3,6-dihydro-2H-pyran-5-ylmethyl)-4-methylcyclohexan-1-amine

N-(3,6-dihydro-2H-pyran-5-ylmethyl)-4-methylcyclohexan-1-amine (PubChem CID 103816300) 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)-4-methylcyclohexan-1-amine.

Molecular Properties

Compound NameN-(3,6-dihydro-2H-pyran-5-ylmethyl)-4-methylcyclohexan-1-amine
PubChem CID103816300
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC NameN-(3,6-dihydro-2H-pyran-5-ylmethyl)-4-methylcyclohexan-1-amine
SMILESCC1CCC(NCC2=CCCOC2)CC1
InChIInChI=1S/C13H23NO/c1-11-4-6-13(7-5-11)14-9-12-3-2-8-15-10-12/h3,11,13-14H,2,4-10H2,1H3
InChIKeyBVGGRZHUBFLJMI-UHFFFAOYSA-N
XLogP2.50
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 ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-azabicyclo[2.2.2]octane;3,6-dihydro-2H-pyran;ethane
CID 144277375
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-3,4-dimethylcyclohexan-1-amine
CID 104588469
3-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]cyclohexan-1-amine
CID 113581647
4-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]cyclohexan-1-amine
CID 114411043
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-methylcyclohexan-1-amine
CID 115674331
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1,4-dimethylcyclohexan-1-amine
CID 115674415
N-(3,6-dihydro-2H-pyran-5-ylmethyl)octan-2-amine
CID 115741719
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2,3-dimethylcyclohexan-1-amine
CID 115741729
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-6-methylheptan-2-amine
CID 115741730
N-(3,6-dihydro-2H-pyran-5-ylmethyl)heptan-2-amine
CID 115741741
N-(3,6-dihydro-2H-pyran-5-ylmethyl)cycloheptanamine
CID 115741742
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-5-methylhexan-2-amine
CID 115741743

Frequently Asked Questions

What is the IUPAC name of N-(3,6-dihydro-2H-pyran-5-ylmethyl)-4-methylcyclohexan-1-amine?
The IUPAC name of N-(3,6-dihydro-2H-pyran-5-ylmethyl)-4-methylcyclohexan-1-amine (CID 103816300) is N-(3,6-dihydro-2H-pyran-5-ylmethyl)-4-methylcyclohexan-1-amine.
What is the SMILES notation for N-(3,6-dihydro-2H-pyran-5-ylmethyl)-4-methylcyclohexan-1-amine?
The canonical SMILES for N-(3,6-dihydro-2H-pyran-5-ylmethyl)-4-methylcyclohexan-1-amine is CC1CCC(NCC2=CCCOC2)CC1.
What is the InChIKey of N-(3,6-dihydro-2H-pyran-5-ylmethyl)-4-methylcyclohexan-1-amine?
The InChIKey is BVGGRZHUBFLJMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-11-4-6-13(7-5-11)14-9-12-3-2-8-15-10-12/h3,11,13-14H,2,4-10H2,1H3.
What are the key properties of N-(3,6-dihydro-2H-pyran-5-ylmethyl)-4-methylcyclohexan-1-amine?
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-4-methylcyclohexan-1-amine has a molecular weight of 209.33 g/mol, XLogP of 2.50, 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)-4-methylcyclohexan-1-amine is sourced from PubChem (CID 103816300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).