5-[(8-tricyclo[5.2.1.02,6]decanylamino)methyl]furan-2-carbonitrile

C16H20N2O — CID 115652912

IUPAC5-[(8-tricyclo[5.2.1.02,6]decanylamino)methyl]furan-2-carbonitrile
SMILESN#Cc1ccc(CNC2CC3CC2C2CCCC32)o1
InChIInChI=1S/C16H20N2O/c17-8-11-4-5-12(19-11)9-18-16-7-10-6-15(16)14-3-1-2-13(10)14/h4-5,10,13-16,18H,1-3,6-7,9H2
InChIKeyURKWZVPREBDXHX-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.07
Rot. Bonds3

About 5-[(8-tricyclo[5.2.1.02,6]decanylamino)methyl]furan-2-carbonitrile

5-[(8-tricyclo[5.2.1.02,6]decanylamino)methyl]furan-2-carbonitrile (PubChem CID 115652912) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 5-[(8-tricyclo[5.2.1.02,6]decanylamino)methyl]furan-2-carbonitrile.

Molecular Properties

Compound Name5-[(8-tricyclo[5.2.1.02,6]decanylamino)methyl]furan-2-carbonitrile
PubChem CID115652912
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name5-[(8-tricyclo[5.2.1.02,6]decanylamino)methyl]furan-2-carbonitrile
SMILESN#Cc1ccc(CNC2CC3CC2C2CCCC32)o1
InChIInChI=1S/C16H20N2O/c17-8-11-4-5-12(19-11)9-18-16-7-10-6-15(16)14-3-1-2-13(10)14/h4-5,10,13-16,18H,1-3,6-7,9H2
InChIKeyURKWZVPREBDXHX-UHFFFAOYSA-N
XLogP3.07
TPSA48.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[[(2-methoxycyclopentyl)amino]methyl]furan-2-carbonitrile
CID 115652909
N-(furan-2-ylmethyl)tricyclo[5.2.1.02,6]decan-8-amine
CID 16775468
5-[(cyclooctylmethylamino)methyl]furan-2-carbonitrile
CID 119138452
N-(thiophen-2-ylmethyl)tricyclo[5.2.1.02,6]decan-8-amine
CID 20726965
N-(pyridin-2-ylmethyl)tricyclo[5.2.1.02,6]decan-8-amine
CID 20726962
5-[[(1,2-dimethylpiperidin-4-yl)amino]methyl]furan-2-carbonitrile
CID 115654984
N-[(2-methylphenyl)methyl]tricyclo[5.2.1.02,6]decan-8-amine
CID 43223708
5-[(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)methyl]furan-2-carbonitrile
CID 115652268
5-[(8-tricyclo[5.2.1.02,6]decanylamino)methyl]furan-3-carboxylic acid
CID 104608471
5-[[(3,3-dimethylcyclohexyl)amino]methyl]furan-2-carbonitrile
CID 113481560
(1R,2S,6S,7S,8S)-N-(cyclopropylmethyl)tricyclo[5.2.1.02,6]decan-8-amine
CID 98119188
N-[(4-bromothiophen-2-yl)methyl]tricyclo[5.2.1.02,6]decan-8-amine
CID 43726768

Frequently Asked Questions

What is the IUPAC name of 5-[(8-tricyclo[5.2.1.02,6]decanylamino)methyl]furan-2-carbonitrile?
The IUPAC name of 5-[(8-tricyclo[5.2.1.02,6]decanylamino)methyl]furan-2-carbonitrile (CID 115652912) is 5-[(8-tricyclo[5.2.1.02,6]decanylamino)methyl]furan-2-carbonitrile.
What is the SMILES notation for 5-[(8-tricyclo[5.2.1.02,6]decanylamino)methyl]furan-2-carbonitrile?
The canonical SMILES for 5-[(8-tricyclo[5.2.1.02,6]decanylamino)methyl]furan-2-carbonitrile is N#Cc1ccc(CNC2CC3CC2C2CCCC32)o1.
What is the InChIKey of 5-[(8-tricyclo[5.2.1.02,6]decanylamino)methyl]furan-2-carbonitrile?
The InChIKey is URKWZVPREBDXHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c17-8-11-4-5-12(19-11)9-18-16-7-10-6-15(16)14-3-1-2-13(10)14/h4-5,10,13-16,18H,1-3,6-7,9H2.
What are the key properties of 5-[(8-tricyclo[5.2.1.02,6]decanylamino)methyl]furan-2-carbonitrile?
5-[(8-tricyclo[5.2.1.02,6]decanylamino)methyl]furan-2-carbonitrile has a molecular weight of 256.35 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(8-tricyclo[5.2.1.02,6]decanylamino)methyl]furan-2-carbonitrile is sourced from PubChem (CID 115652912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).