N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4-methoxybutan-1-amine

C11H21NO2 — CID 62064433

IUPACN-(3,4-dihydro-2H-pyran-2-ylmethyl)-4-methoxybutan-1-amine
SMILESCOCCCCNCC1CCC=CO1
InChIInChI=1S/C11H21NO2/c1-13-8-5-3-7-12-10-11-6-2-4-9-14-11/h4,9,11-12H,2-3,5-8,10H2,1H3
InChIKeyFFSITLFMHIRNJN-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.70
Rot. Bonds7

About N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4-methoxybutan-1-amine

N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4-methoxybutan-1-amine (PubChem CID 62064433) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4-methoxybutan-1-amine.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-pyran-2-ylmethyl)-4-methoxybutan-1-amine
PubChem CID62064433
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC NameN-(3,4-dihydro-2H-pyran-2-ylmethyl)-4-methoxybutan-1-amine
SMILESCOCCCCNCC1CCC=CO1
InChIInChI=1S/C11H21NO2/c1-13-8-5-3-7-12-10-11-6-2-4-9-14-11/h4,9,11-12H,2-3,5-8,10H2,1H3
InChIKeyFFSITLFMHIRNJN-UHFFFAOYSA-N
XLogP1.70
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4-methoxybutan-1-amine?
The IUPAC name of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4-methoxybutan-1-amine (CID 62064433) is N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4-methoxybutan-1-amine.
What is the SMILES notation for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4-methoxybutan-1-amine?
The canonical SMILES for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4-methoxybutan-1-amine is COCCCCNCC1CCC=CO1.
What is the InChIKey of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4-methoxybutan-1-amine?
The InChIKey is FFSITLFMHIRNJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-13-8-5-3-7-12-10-11-6-2-4-9-14-11/h4,9,11-12H,2-3,5-8,10H2,1H3.
What are the key properties of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4-methoxybutan-1-amine?
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4-methoxybutan-1-amine has a molecular weight of 199.29 g/mol, XLogP of 1.70, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4-methoxybutan-1-amine is sourced from PubChem (CID 62064433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).