N-(3,4-dihydro-2H-pyran-6-ylmethyl)-N-methylethanamine

C9H17NO — CID 143715170

IUPACN-(3,4-dihydro-2H-pyran-6-ylmethyl)-N-methylethanamine
SMILESCCN(C)CC1=CCCCO1
InChIInChI=1S/C9H17NO/c1-3-10(2)8-9-6-4-5-7-11-9/h6H,3-5,7-8H2,1-2H3
InChIKeyCPYPUNUXOWCEHC-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.63
Rot. Bonds3

About N-(3,4-dihydro-2H-pyran-6-ylmethyl)-N-methylethanamine

N-(3,4-dihydro-2H-pyran-6-ylmethyl)-N-methylethanamine (PubChem CID 143715170) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-pyran-6-ylmethyl)-N-methylethanamine.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-pyran-6-ylmethyl)-N-methylethanamine
PubChem CID143715170
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC NameN-(3,4-dihydro-2H-pyran-6-ylmethyl)-N-methylethanamine
SMILESCCN(C)CC1=CCCCO1
InChIInChI=1S/C9H17NO/c1-3-10(2)8-9-6-4-5-7-11-9/h6H,3-5,7-8H2,1-2H3
InChIKeyCPYPUNUXOWCEHC-UHFFFAOYSA-N
XLogP1.63
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-pyran-6-ylmethyl)-N-methylethanamine?
The IUPAC name of N-(3,4-dihydro-2H-pyran-6-ylmethyl)-N-methylethanamine (CID 143715170) is N-(3,4-dihydro-2H-pyran-6-ylmethyl)-N-methylethanamine.
What is the SMILES notation for N-(3,4-dihydro-2H-pyran-6-ylmethyl)-N-methylethanamine?
The canonical SMILES for N-(3,4-dihydro-2H-pyran-6-ylmethyl)-N-methylethanamine is CCN(C)CC1=CCCCO1.
What is the InChIKey of N-(3,4-dihydro-2H-pyran-6-ylmethyl)-N-methylethanamine?
The InChIKey is CPYPUNUXOWCEHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-3-10(2)8-9-6-4-5-7-11-9/h6H,3-5,7-8H2,1-2H3.
What are the key properties of N-(3,4-dihydro-2H-pyran-6-ylmethyl)-N-methylethanamine?
N-(3,4-dihydro-2H-pyran-6-ylmethyl)-N-methylethanamine has a molecular weight of 155.24 g/mol, XLogP of 1.63, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-pyran-6-ylmethyl)-N-methylethanamine is sourced from PubChem (CID 143715170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).