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

C13H23NO — CID 115741813

IUPACN-(3,6-dihydro-2H-pyran-5-ylmethyl)-3-methylcyclohexan-1-amine
SMILESCC1CCCC(NCC2=CCCOC2)C1
InChIInChI=1S/C13H23NO/c1-11-4-2-6-13(8-11)14-9-12-5-3-7-15-10-12/h5,11,13-14H,2-4,6-10H2,1H3
InChIKeySFJLAUOAIUCCPY-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.50
Rot. Bonds3

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

N-(3,6-dihydro-2H-pyran-5-ylmethyl)-3-methylcyclohexan-1-amine (PubChem CID 115741813) 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)-3-methylcyclohexan-1-amine.

Molecular Properties

Compound NameN-(3,6-dihydro-2H-pyran-5-ylmethyl)-3-methylcyclohexan-1-amine
PubChem CID115741813
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC NameN-(3,6-dihydro-2H-pyran-5-ylmethyl)-3-methylcyclohexan-1-amine
SMILESCC1CCCC(NCC2=CCCOC2)C1
InChIInChI=1S/C13H23NO/c1-11-4-2-6-13(8-11)14-9-12-5-3-7-15-10-12/h5,11,13-14H,2-4,6-10H2,1H3
InChIKeySFJLAUOAIUCCPY-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

N-(3,6-dihydro-2H-pyran-5-ylmethyl)-4-methylcyclohexan-1-amine
CID 103816300
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)-3-methylcyclohexan-1-amine?
The IUPAC name of N-(3,6-dihydro-2H-pyran-5-ylmethyl)-3-methylcyclohexan-1-amine (CID 115741813) is N-(3,6-dihydro-2H-pyran-5-ylmethyl)-3-methylcyclohexan-1-amine.
What is the SMILES notation for N-(3,6-dihydro-2H-pyran-5-ylmethyl)-3-methylcyclohexan-1-amine?
The canonical SMILES for N-(3,6-dihydro-2H-pyran-5-ylmethyl)-3-methylcyclohexan-1-amine is CC1CCCC(NCC2=CCCOC2)C1.
What is the InChIKey of N-(3,6-dihydro-2H-pyran-5-ylmethyl)-3-methylcyclohexan-1-amine?
The InChIKey is SFJLAUOAIUCCPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-11-4-2-6-13(8-11)14-9-12-5-3-7-15-10-12/h5,11,13-14H,2-4,6-10H2,1H3.
What are the key properties of N-(3,6-dihydro-2H-pyran-5-ylmethyl)-3-methylcyclohexan-1-amine?
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-3-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)-3-methylcyclohexan-1-amine is sourced from PubChem (CID 115741813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).