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

C12H23NO2 — CID 65047402

IUPACN-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-methoxy-3-methylbutan-2-amine
SMILESCOCC(NCC1CCC=CO1)C(C)C
InChIInChI=1S/C12H23NO2/c1-10(2)12(9-14-3)13-8-11-6-4-5-7-15-11/h5,7,10-13H,4,6,8-9H2,1-3H3
InChIKeyRHHLBXRNOWDTAF-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.94
Rot. Bonds6

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

N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-methoxy-3-methylbutan-2-amine (PubChem CID 65047402) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-methoxy-3-methylbutan-2-amine.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-methoxy-3-methylbutan-2-amine
PubChem CID65047402
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC NameN-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-methoxy-3-methylbutan-2-amine
SMILESCOCC(NCC1CCC=CO1)C(C)C
InChIInChI=1S/C12H23NO2/c1-10(2)12(9-14-3)13-8-11-6-4-5-7-15-11/h5,7,10-13H,4,6,8-9H2,1-3H3
InChIKeyRHHLBXRNOWDTAF-UHFFFAOYSA-N
XLogP1.94
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-methoxy-3-methylbutan-2-amine?
The IUPAC name of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-methoxy-3-methylbutan-2-amine (CID 65047402) is N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-methoxy-3-methylbutan-2-amine.
What is the SMILES notation for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-methoxy-3-methylbutan-2-amine?
The canonical SMILES for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-methoxy-3-methylbutan-2-amine is COCC(NCC1CCC=CO1)C(C)C.
What is the InChIKey of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-methoxy-3-methylbutan-2-amine?
The InChIKey is RHHLBXRNOWDTAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-10(2)12(9-14-3)13-8-11-6-4-5-7-15-11/h5,7,10-13H,4,6,8-9H2,1-3H3.
What are the key properties of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-methoxy-3-methylbutan-2-amine?
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-methoxy-3-methylbutan-2-amine has a molecular weight of 213.32 g/mol, XLogP of 1.94, 6 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)-1-methoxy-3-methylbutan-2-amine is sourced from PubChem (CID 65047402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).