1-(3,4-dihydro-2H-pyran-5-yl)-N-methyldodecan-1-amine

C18H35NO — CID 105033323

IUPAC1-(3,4-dihydro-2H-pyran-5-yl)-N-methyldodecan-1-amine
SMILESCCCCCCCCCCCC(NC)C1=COCCC1
InChIInChI=1S/C18H35NO/c1-3-4-5-6-7-8-9-10-11-14-18(19-2)17-13-12-15-20-16-17/h16,18-19H,3-15H2,1-2H3
InChIKeySPUINOAJHXGUHX-UHFFFAOYSA-N
MW281.48 g/mol
LogP5.19
Rot. Bonds12

About 1-(3,4-dihydro-2H-pyran-5-yl)-N-methyldodecan-1-amine

1-(3,4-dihydro-2H-pyran-5-yl)-N-methyldodecan-1-amine (PubChem CID 105033323) has the molecular formula C18H35NO and a molecular weight of 281.48 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-5-yl)-N-methyldodecan-1-amine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-5-yl)-N-methyldodecan-1-amine
PubChem CID105033323
Molecular FormulaC18H35NO
Molecular Weight281.48 g/mol
Exact Mass281.27
IUPAC Name1-(3,4-dihydro-2H-pyran-5-yl)-N-methyldodecan-1-amine
SMILESCCCCCCCCCCCC(NC)C1=COCCC1
InChIInChI=1S/C18H35NO/c1-3-4-5-6-7-8-9-10-11-14-18(19-2)17-13-12-15-20-16-17/h16,18-19H,3-15H2,1-2H3
InChIKeySPUINOAJHXGUHX-UHFFFAOYSA-N
XLogP5.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.48
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3,4-dihydro-2H-pyran-5-yl)heptylhydrazine
CID 105333276
1-(3,4-dihydro-2H-pyran-5-yl)-N-propylnonan-1-amine
CID 105033094
3-cyclohexyl-1-(3,4-dihydro-2H-pyran-5-yl)-N-methylpropan-1-amine
CID 105033095
2-cyclopentyl-1-(3,4-dihydro-2H-pyran-5-yl)-N-methylethanamine
CID 105033530
[1-(3,4-dihydro-2H-pyran-5-yl)-4-methoxybutyl]hydrazine
CID 105224926
1-(3,4-dihydro-2H-pyran-5-yl)-2-(3,4-dimethylphenyl)-N-methylethanamine
CID 113370560
1-(3,4-dihydro-2H-pyran-5-yl)-4-methoxy-N-propylpentan-1-amine
CID 105179221
1-(3,4-dihydro-2H-pyran-5-yl)-N-propylbut-3-en-1-amine
CID 116660937
1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylnonan-1-amine
CID 65450080
N-methyl-1-[2-[1-(methylamino)pentadecyl]phenyl]pentadecan-1-amine
CID 57228103
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylnonan-1-amine
CID 65447633
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyloctan-1-amine
CID 43483285

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyran-5-yl)-N-methyldodecan-1-amine?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-5-yl)-N-methyldodecan-1-amine (CID 105033323) is 1-(3,4-dihydro-2H-pyran-5-yl)-N-methyldodecan-1-amine.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-5-yl)-N-methyldodecan-1-amine?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-5-yl)-N-methyldodecan-1-amine is CCCCCCCCCCCC(NC)C1=COCCC1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-5-yl)-N-methyldodecan-1-amine?
The InChIKey is SPUINOAJHXGUHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO/c1-3-4-5-6-7-8-9-10-11-14-18(19-2)17-13-12-15-20-16-17/h16,18-19H,3-15H2,1-2H3.
What are the key properties of 1-(3,4-dihydro-2H-pyran-5-yl)-N-methyldodecan-1-amine?
1-(3,4-dihydro-2H-pyran-5-yl)-N-methyldodecan-1-amine has a molecular weight of 281.48 g/mol, XLogP of 5.19, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-pyran-5-yl)-N-methyldodecan-1-amine is sourced from PubChem (CID 105033323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).