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

C14H27NO — CID 115741719

IUPACN-(3,6-dihydro-2H-pyran-5-ylmethyl)octan-2-amine
SMILESCCCCCCC(C)NCC1=CCCOC1
InChIInChI=1S/C14H27NO/c1-3-4-5-6-8-13(2)15-11-14-9-7-10-16-12-14/h9,13,15H,3-8,10-12H2,1-2H3
InChIKeyFREMVTSMIRAWDF-UHFFFAOYSA-N
MW225.38 g/mol
LogP3.28
Rot. Bonds8

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

N-(3,6-dihydro-2H-pyran-5-ylmethyl)octan-2-amine (PubChem CID 115741719) 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-2-amine.

Molecular Properties

Compound NameN-(3,6-dihydro-2H-pyran-5-ylmethyl)octan-2-amine
PubChem CID115741719
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC NameN-(3,6-dihydro-2H-pyran-5-ylmethyl)octan-2-amine
SMILESCCCCCCC(C)NCC1=CCCOC1
InChIInChI=1S/C14H27NO/c1-3-4-5-6-8-13(2)15-11-14-9-7-10-16-12-14/h9,13,15H,3-8,10-12H2,1-2H3
InChIKeyFREMVTSMIRAWDF-UHFFFAOYSA-N
XLogP3.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
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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Related Compounds

N-Cyclohexyl-4-methyl-3,6-dihydro-2H-pyran-3-amine
CID 13530832
N-[2-(cyclohexen-1-yl)ethyl]-4-methoxybutan-2-amine
CID 61866398
N-[2-(cyclohexen-1-yl)ethyl]-3-ethoxypropan-1-amine
CID 65175115
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
4-(methoxymethyl)-1-(3-piperidin-2-ylpropyl)-3,6-dihydro-2H-pyridine
CID 113581634
N-(3,6-dihydro-2H-pyran-5-ylmethyl)propan-1-amine
CID 115674325
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-methylcyclohexan-1-amine
CID 115674331
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-(1-ethylpyrrolidin-2-yl)methanamine
CID 115674355
N-(3,6-dihydro-2H-pyran-5-ylmethyl)ethanamine
CID 115674359
2-(cyclohexen-1-yl)-N-(3,6-dihydro-2H-pyran-5-ylmethyl)ethanamine
CID 115741718
N-(3,6-dihydro-2H-pyran-5-ylmethyl)pentan-2-amine
CID 115741720

Frequently Asked Questions

What is the IUPAC name of N-(3,6-dihydro-2H-pyran-5-ylmethyl)octan-2-amine?
The IUPAC name of N-(3,6-dihydro-2H-pyran-5-ylmethyl)octan-2-amine (CID 115741719) is N-(3,6-dihydro-2H-pyran-5-ylmethyl)octan-2-amine.
What is the SMILES notation for N-(3,6-dihydro-2H-pyran-5-ylmethyl)octan-2-amine?
The canonical SMILES for N-(3,6-dihydro-2H-pyran-5-ylmethyl)octan-2-amine is CCCCCCC(C)NCC1=CCCOC1.
What is the InChIKey of N-(3,6-dihydro-2H-pyran-5-ylmethyl)octan-2-amine?
The InChIKey is FREMVTSMIRAWDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-3-4-5-6-8-13(2)15-11-14-9-7-10-16-12-14/h9,13,15H,3-8,10-12H2,1-2H3.
What are the key properties of N-(3,6-dihydro-2H-pyran-5-ylmethyl)octan-2-amine?
N-(3,6-dihydro-2H-pyran-5-ylmethyl)octan-2-amine has a molecular weight of 225.38 g/mol, XLogP of 3.28, 8 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-2-amine is sourced from PubChem (CID 115741719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).