1-(5,5-dimethyl-2H-furan-2-yl)-N-methylmethanamine

C8H15NO — CID 55286490

IUPAC1-(5,5-dimethyl-2H-furan-2-yl)-N-methylmethanamine
SMILESCNCC1C=CC(C)(C)O1
InChIInChI=1S/C8H15NO/c1-8(2)5-4-7(10-8)6-9-3/h4-5,7,9H,6H2,1-3H3
InChIKeyLCMKZKCCXNMABB-UHFFFAOYSA-N
MW141.21 g/mol
LogP0.94
Rot. Bonds2

About 1-(5,5-dimethyl-2H-furan-2-yl)-N-methylmethanamine

1-(5,5-dimethyl-2H-furan-2-yl)-N-methylmethanamine (PubChem CID 55286490) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 1-(5,5-dimethyl-2H-furan-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(5,5-dimethyl-2H-furan-2-yl)-N-methylmethanamine
PubChem CID55286490
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name1-(5,5-dimethyl-2H-furan-2-yl)-N-methylmethanamine
SMILESCNCC1C=CC(C)(C)O1
InChIInChI=1S/C8H15NO/c1-8(2)5-4-7(10-8)6-9-3/h4-5,7,9H,6H2,1-3H3
InChIKeyLCMKZKCCXNMABB-UHFFFAOYSA-N
XLogP0.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(5,5-dimethyl-2H-furan-2-yl)-N-methylmethanamine?
The IUPAC name of 1-(5,5-dimethyl-2H-furan-2-yl)-N-methylmethanamine (CID 55286490) is 1-(5,5-dimethyl-2H-furan-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(5,5-dimethyl-2H-furan-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-(5,5-dimethyl-2H-furan-2-yl)-N-methylmethanamine is CNCC1C=CC(C)(C)O1.
What is the InChIKey of 1-(5,5-dimethyl-2H-furan-2-yl)-N-methylmethanamine?
The InChIKey is LCMKZKCCXNMABB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-8(2)5-4-7(10-8)6-9-3/h4-5,7,9H,6H2,1-3H3.
What are the key properties of 1-(5,5-dimethyl-2H-furan-2-yl)-N-methylmethanamine?
1-(5,5-dimethyl-2H-furan-2-yl)-N-methylmethanamine has a molecular weight of 141.21 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,5-dimethyl-2H-furan-2-yl)-N-methylmethanamine is sourced from PubChem (CID 55286490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).