1-(3,6-dihydro-2H-pyran-6-yl)-N-methylmethanamine

C7H13NO — CID 143974279

IUPAC1-(3,6-dihydro-2H-pyran-6-yl)-N-methylmethanamine
SMILESCNCC1C=CCCO1
InChIInChI=1S/C7H13NO/c1-8-6-7-4-2-3-5-9-7/h2,4,7-8H,3,5-6H2,1H3
InChIKeyAQDZGHGIKHBBKV-UHFFFAOYSA-N
MW127.19 g/mol
LogP0.55
Rot. Bonds2

About 1-(3,6-dihydro-2H-pyran-6-yl)-N-methylmethanamine

1-(3,6-dihydro-2H-pyran-6-yl)-N-methylmethanamine (PubChem CID 143974279) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 1-(3,6-dihydro-2H-pyran-6-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3,6-dihydro-2H-pyran-6-yl)-N-methylmethanamine
PubChem CID143974279
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name1-(3,6-dihydro-2H-pyran-6-yl)-N-methylmethanamine
SMILESCNCC1C=CCCO1
InChIInChI=1S/C7H13NO/c1-8-6-7-4-2-3-5-9-7/h2,4,7-8H,3,5-6H2,1H3
InChIKeyAQDZGHGIKHBBKV-UHFFFAOYSA-N
XLogP0.55
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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2-Pent-1-enylmorpholine
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2-But-1-enylmorpholine
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Frequently Asked Questions

What is the IUPAC name of 1-(3,6-dihydro-2H-pyran-6-yl)-N-methylmethanamine?
The IUPAC name of 1-(3,6-dihydro-2H-pyran-6-yl)-N-methylmethanamine (CID 143974279) is 1-(3,6-dihydro-2H-pyran-6-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(3,6-dihydro-2H-pyran-6-yl)-N-methylmethanamine?
The canonical SMILES for 1-(3,6-dihydro-2H-pyran-6-yl)-N-methylmethanamine is CNCC1C=CCCO1.
What is the InChIKey of 1-(3,6-dihydro-2H-pyran-6-yl)-N-methylmethanamine?
The InChIKey is AQDZGHGIKHBBKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-8-6-7-4-2-3-5-9-7/h2,4,7-8H,3,5-6H2,1H3.
What are the key properties of 1-(3,6-dihydro-2H-pyran-6-yl)-N-methylmethanamine?
1-(3,6-dihydro-2H-pyran-6-yl)-N-methylmethanamine has a molecular weight of 127.19 g/mol, XLogP of 0.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,6-dihydro-2H-pyran-6-yl)-N-methylmethanamine is sourced from PubChem (CID 143974279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).