2-[furan-3-ylmethyl(methyl)amino]cycloheptane-1-carbonitrile

C14H20N2O — CID 61422186

IUPAC2-[furan-3-ylmethyl(methyl)amino]cycloheptane-1-carbonitrile
SMILESCN(Cc1ccoc1)C1CCCCCC1C#N
InChIInChI=1S/C14H20N2O/c1-16(10-12-7-8-17-11-12)14-6-4-2-3-5-13(14)9-15/h7-8,11,13-14H,2-6,10H2,1H3
InChIKeyGRLWUQZAGKPRJT-UHFFFAOYSA-N
MW232.33 g/mol
LogP3.18
Rot. Bonds3

About 2-[furan-3-ylmethyl(methyl)amino]cycloheptane-1-carbonitrile

2-[furan-3-ylmethyl(methyl)amino]cycloheptane-1-carbonitrile (PubChem CID 61422186) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 2-[furan-3-ylmethyl(methyl)amino]cycloheptane-1-carbonitrile.

Molecular Properties

Compound Name2-[furan-3-ylmethyl(methyl)amino]cycloheptane-1-carbonitrile
PubChem CID61422186
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name2-[furan-3-ylmethyl(methyl)amino]cycloheptane-1-carbonitrile
SMILESCN(Cc1ccoc1)C1CCCCCC1C#N
InChIInChI=1S/C14H20N2O/c1-16(10-12-7-8-17-11-12)14-6-4-2-3-5-13(14)9-15/h7-8,11,13-14H,2-6,10H2,1H3
InChIKeyGRLWUQZAGKPRJT-UHFFFAOYSA-N
XLogP3.18
TPSA40.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[furan-3-ylmethyl(methyl)amino]cycloheptane-1-carbonitrile?
The IUPAC name of 2-[furan-3-ylmethyl(methyl)amino]cycloheptane-1-carbonitrile (CID 61422186) is 2-[furan-3-ylmethyl(methyl)amino]cycloheptane-1-carbonitrile.
What is the SMILES notation for 2-[furan-3-ylmethyl(methyl)amino]cycloheptane-1-carbonitrile?
The canonical SMILES for 2-[furan-3-ylmethyl(methyl)amino]cycloheptane-1-carbonitrile is CN(Cc1ccoc1)C1CCCCCC1C#N.
What is the InChIKey of 2-[furan-3-ylmethyl(methyl)amino]cycloheptane-1-carbonitrile?
The InChIKey is GRLWUQZAGKPRJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-16(10-12-7-8-17-11-12)14-6-4-2-3-5-13(14)9-15/h7-8,11,13-14H,2-6,10H2,1H3.
What are the key properties of 2-[furan-3-ylmethyl(methyl)amino]cycloheptane-1-carbonitrile?
2-[furan-3-ylmethyl(methyl)amino]cycloheptane-1-carbonitrile has a molecular weight of 232.33 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[furan-3-ylmethyl(methyl)amino]cycloheptane-1-carbonitrile is sourced from PubChem (CID 61422186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).