2-(furan-3-ylmethyl)-2-methylazepane

C12H19NO — CID 83182751

IUPAC2-(furan-3-ylmethyl)-2-methylazepane
SMILESCC1(Cc2ccoc2)CCCCCN1
InChIInChI=1S/C12H19NO/c1-12(6-3-2-4-7-13-12)9-11-5-8-14-10-11/h5,8,10,13H,2-4,6-7,9H2,1H3
InChIKeyAPBZIKTWQFUVES-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.74
Rot. Bonds2

About 2-(furan-3-ylmethyl)-2-methylazepane

2-(furan-3-ylmethyl)-2-methylazepane (PubChem CID 83182751) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 2-(furan-3-ylmethyl)-2-methylazepane.

Molecular Properties

Compound Name2-(furan-3-ylmethyl)-2-methylazepane
PubChem CID83182751
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name2-(furan-3-ylmethyl)-2-methylazepane
SMILESCC1(Cc2ccoc2)CCCCCN1
InChIInChI=1S/C12H19NO/c1-12(6-3-2-4-7-13-12)9-11-5-8-14-10-11/h5,8,10,13H,2-4,6-7,9H2,1H3
InChIKeyAPBZIKTWQFUVES-UHFFFAOYSA-N
XLogP2.74
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-3-ylmethyl)-2-methylazepane?
The IUPAC name of 2-(furan-3-ylmethyl)-2-methylazepane (CID 83182751) is 2-(furan-3-ylmethyl)-2-methylazepane.
What is the SMILES notation for 2-(furan-3-ylmethyl)-2-methylazepane?
The canonical SMILES for 2-(furan-3-ylmethyl)-2-methylazepane is CC1(Cc2ccoc2)CCCCCN1.
What is the InChIKey of 2-(furan-3-ylmethyl)-2-methylazepane?
The InChIKey is APBZIKTWQFUVES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-12(6-3-2-4-7-13-12)9-11-5-8-14-10-11/h5,8,10,13H,2-4,6-7,9H2,1H3.
What are the key properties of 2-(furan-3-ylmethyl)-2-methylazepane?
2-(furan-3-ylmethyl)-2-methylazepane has a molecular weight of 193.29 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-3-ylmethyl)-2-methylazepane is sourced from PubChem (CID 83182751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).