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

C13H25NO — CID 105033310

IUPAC1-(3,4-dihydro-2H-pyran-5-yl)octan-1-amine
SMILESCCCCCCCC(N)C1=COCCC1
InChIInChI=1S/C13H25NO/c1-2-3-4-5-6-9-13(14)12-8-7-10-15-11-12/h11,13H,2-10,14H2,1H3
InChIKeyYXDZLVHAHOZOAR-UHFFFAOYSA-N
MW211.35 g/mol
LogP3.37
Rot. Bonds7

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

1-(3,4-dihydro-2H-pyran-5-yl)octan-1-amine (PubChem CID 105033310) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-5-yl)octan-1-amine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-5-yl)octan-1-amine
PubChem CID105033310
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name1-(3,4-dihydro-2H-pyran-5-yl)octan-1-amine
SMILESCCCCCCCC(N)C1=COCCC1
InChIInChI=1S/C13H25NO/c1-2-3-4-5-6-9-13(14)12-8-7-10-15-11-12/h11,13H,2-10,14H2,1H3
InChIKeyYXDZLVHAHOZOAR-UHFFFAOYSA-N
XLogP3.37
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 53.37
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)-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103148161
3-(2,2-difluoroethoxy)-1-(3,4-dihydro-2H-pyran-5-yl)propan-1-amine
CID 103149061
1-(3,4-dihydro-2H-pyran-5-yl)-3,3,3-trifluoropropan-1-amine
CID 104058657
1-(3,4-dihydro-2H-pyran-5-yl)-4,4,4-trifluorobutan-1-amine
CID 104059226
1-(3,4-dihydro-2H-pyran-5-yl)-4,4,4-trifluoro-N-methylbutan-1-amine
CID 104059227
1-(3,4-dihydro-2H-pyran-5-yl)-2,2-difluoropropan-1-amine
CID 130605236
4-(5-methyl-3,4-dihydro-2H-pyran-2-yl)butan-1-amine
CID 152961582
1-(3,4-dihydro-2H-pyran-5-yl)butan-2-amine
CID 55253626
1-(3,4-dihydro-2H-pyran-5-yl)propan-2-amine
CID 55253636
3-amino-3-(3,4-dihydro-2H-pyran-5-yl)propan-1-ol;hydrochloride
CID 55255755
3-(3-Methoxypropyl)cyclohex-2-en-1-amine
CID 65171746
1-Methoxy-6-methylideneoctan-4-amine
CID 66038527

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyran-5-yl)octan-1-amine?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-5-yl)octan-1-amine (CID 105033310) is 1-(3,4-dihydro-2H-pyran-5-yl)octan-1-amine.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-5-yl)octan-1-amine?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-5-yl)octan-1-amine is CCCCCCCC(N)C1=COCCC1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-5-yl)octan-1-amine?
The InChIKey is YXDZLVHAHOZOAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-2-3-4-5-6-9-13(14)12-8-7-10-15-11-12/h11,13H,2-10,14H2,1H3.
What are the key properties of 1-(3,4-dihydro-2H-pyran-5-yl)octan-1-amine?
1-(3,4-dihydro-2H-pyran-5-yl)octan-1-amine has a molecular weight of 211.35 g/mol, XLogP of 3.37, 7 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)octan-1-amine is sourced from PubChem (CID 105033310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).