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

C14H27NO — CID 115741794

IUPACN-(3,6-dihydro-2H-pyran-5-ylmethyl)octan-1-amine
SMILESCCCCCCCCNCC1=CCCOC1
InChIInChI=1S/C14H27NO/c1-2-3-4-5-6-7-10-15-12-14-9-8-11-16-13-14/h9,15H,2-8,10-13H2,1H3
InChIKeyVXLVFCDQZXWWOR-UHFFFAOYSA-N
MW225.38 g/mol
LogP3.28
Rot. Bonds9

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

N-(3,6-dihydro-2H-pyran-5-ylmethyl)octan-1-amine (PubChem CID 115741794) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is N-(3,6-dihydro-2H-pyran-5-ylmethyl)octan-1-amine.

Molecular Properties

Compound NameN-(3,6-dihydro-2H-pyran-5-ylmethyl)octan-1-amine
PubChem CID115741794
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC NameN-(3,6-dihydro-2H-pyran-5-ylmethyl)octan-1-amine
SMILESCCCCCCCCNCC1=CCCOC1
InChIInChI=1S/C14H27NO/c1-2-3-4-5-6-7-10-15-12-14-9-8-11-16-13-14/h9,15H,2-8,10-13H2,1H3
InChIKeyVXLVFCDQZXWWOR-UHFFFAOYSA-N
XLogP3.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3,6-dihydro-2H-pyran-5-ylmethyl)octan-1-amine?
The IUPAC name of N-(3,6-dihydro-2H-pyran-5-ylmethyl)octan-1-amine (CID 115741794) is N-(3,6-dihydro-2H-pyran-5-ylmethyl)octan-1-amine.
What is the SMILES notation for N-(3,6-dihydro-2H-pyran-5-ylmethyl)octan-1-amine?
The canonical SMILES for N-(3,6-dihydro-2H-pyran-5-ylmethyl)octan-1-amine is CCCCCCCCNCC1=CCCOC1.
What is the InChIKey of N-(3,6-dihydro-2H-pyran-5-ylmethyl)octan-1-amine?
The InChIKey is VXLVFCDQZXWWOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-2-3-4-5-6-7-10-15-12-14-9-8-11-16-13-14/h9,15H,2-8,10-13H2,1H3.
What are the key properties of N-(3,6-dihydro-2H-pyran-5-ylmethyl)octan-1-amine?
N-(3,6-dihydro-2H-pyran-5-ylmethyl)octan-1-amine has a molecular weight of 225.38 g/mol, XLogP of 3.28, 9 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)octan-1-amine is sourced from PubChem (CID 115741794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).