2-methyl-3-(8-tricyclo[5.2.1.02,6]decanylamino)propanenitrile

C14H22N2 — CID 62648141

IUPAC2-methyl-3-(8-tricyclo[5.2.1.02,6]decanylamino)propanenitrile
SMILESCC(C#N)CNC1CC2CC1C1CCCC21
InChIInChI=1S/C14H22N2/c1-9(7-15)8-16-14-6-10-5-13(14)12-4-2-3-11(10)12/h9-14,16H,2-6,8H2,1H3
InChIKeyNAQGMWDPXIRRLB-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.56
Rot. Bonds3

About 2-methyl-3-(8-tricyclo[5.2.1.02,6]decanylamino)propanenitrile

2-methyl-3-(8-tricyclo[5.2.1.02,6]decanylamino)propanenitrile (PubChem CID 62648141) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 2-methyl-3-(8-tricyclo[5.2.1.02,6]decanylamino)propanenitrile.

Molecular Properties

Compound Name2-methyl-3-(8-tricyclo[5.2.1.02,6]decanylamino)propanenitrile
PubChem CID62648141
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name2-methyl-3-(8-tricyclo[5.2.1.02,6]decanylamino)propanenitrile
SMILESCC(C#N)CNC1CC2CC1C1CCCC21
InChIInChI=1S/C14H22N2/c1-9(7-15)8-16-14-6-10-5-13(14)12-4-2-3-11(10)12/h9-14,16H,2-6,8H2,1H3
InChIKeyNAQGMWDPXIRRLB-UHFFFAOYSA-N
XLogP2.56
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(8-tricyclo[5.2.1.02,6]decanylamino)propanenitrile?
The IUPAC name of 2-methyl-3-(8-tricyclo[5.2.1.02,6]decanylamino)propanenitrile (CID 62648141) is 2-methyl-3-(8-tricyclo[5.2.1.02,6]decanylamino)propanenitrile.
What is the SMILES notation for 2-methyl-3-(8-tricyclo[5.2.1.02,6]decanylamino)propanenitrile?
The canonical SMILES for 2-methyl-3-(8-tricyclo[5.2.1.02,6]decanylamino)propanenitrile is CC(C#N)CNC1CC2CC1C1CCCC21.
What is the InChIKey of 2-methyl-3-(8-tricyclo[5.2.1.02,6]decanylamino)propanenitrile?
The InChIKey is NAQGMWDPXIRRLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-9(7-15)8-16-14-6-10-5-13(14)12-4-2-3-11(10)12/h9-14,16H,2-6,8H2,1H3.
What are the key properties of 2-methyl-3-(8-tricyclo[5.2.1.02,6]decanylamino)propanenitrile?
2-methyl-3-(8-tricyclo[5.2.1.02,6]decanylamino)propanenitrile has a molecular weight of 218.34 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(8-tricyclo[5.2.1.02,6]decanylamino)propanenitrile is sourced from PubChem (CID 62648141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).