1-(3,4-dihydro-2H-pyran-2-yl)-N-methylmethanamine;ethane

C9H19NO — CID 143819446

IUPAC1-(3,4-dihydro-2H-pyran-2-yl)-N-methylmethanamine;ethane
SMILESCC.CNCC1CCC=CO1
InChIInChI=1S/C7H13NO.C2H6/c1-8-6-7-4-2-3-5-9-7;1-2/h3,5,7-8H,2,4,6H2,1H3;1-2H3
InChIKeyGWKKFAYFDNHABB-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.92
Rot. Bonds2

About 1-(3,4-dihydro-2H-pyran-2-yl)-N-methylmethanamine;ethane

1-(3,4-dihydro-2H-pyran-2-yl)-N-methylmethanamine;ethane (PubChem CID 143819446) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-2-yl)-N-methylmethanamine;ethane.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-2-yl)-N-methylmethanamine;ethane
PubChem CID143819446
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name1-(3,4-dihydro-2H-pyran-2-yl)-N-methylmethanamine;ethane
SMILESCC.CNCC1CCC=CO1
InChIInChI=1S/C7H13NO.C2H6/c1-8-6-7-4-2-3-5-9-7;1-2/h3,5,7-8H,2,4,6H2,1H3;1-2H3
InChIKeyGWKKFAYFDNHABB-UHFFFAOYSA-N
XLogP1.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyran-2-yl)-N-methylmethanamine;ethane?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-2-yl)-N-methylmethanamine;ethane (CID 143819446) is 1-(3,4-dihydro-2H-pyran-2-yl)-N-methylmethanamine;ethane.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-2-yl)-N-methylmethanamine;ethane?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-2-yl)-N-methylmethanamine;ethane is CC.CNCC1CCC=CO1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-2-yl)-N-methylmethanamine;ethane?
The InChIKey is GWKKFAYFDNHABB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO.C2H6/c1-8-6-7-4-2-3-5-9-7;1-2/h3,5,7-8H,2,4,6H2,1H3;1-2H3.
What are the key properties of 1-(3,4-dihydro-2H-pyran-2-yl)-N-methylmethanamine;ethane?
1-(3,4-dihydro-2H-pyran-2-yl)-N-methylmethanamine;ethane has a molecular weight of 157.26 g/mol, XLogP of 1.92, 2 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-2-yl)-N-methylmethanamine;ethane is sourced from PubChem (CID 143819446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).