3-(6-propan-2-ylmorpholin-2-yl)benzonitrile

C14H18N2O — CID 113492576

IUPAC3-(6-propan-2-ylmorpholin-2-yl)benzonitrile
SMILESCC(C)C1CNCC(c2cccc(C#N)c2)O1
InChIInChI=1S/C14H18N2O/c1-10(2)13-8-16-9-14(17-13)12-5-3-4-11(6-12)7-15/h3-6,10,13-14,16H,8-9H2,1-2H3
InChIKeySTIFSYRCQUHPON-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.24
Rot. Bonds2

About 3-(6-propan-2-ylmorpholin-2-yl)benzonitrile

3-(6-propan-2-ylmorpholin-2-yl)benzonitrile (PubChem CID 113492576) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 3-(6-propan-2-ylmorpholin-2-yl)benzonitrile.

Molecular Properties

Compound Name3-(6-propan-2-ylmorpholin-2-yl)benzonitrile
PubChem CID113492576
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name3-(6-propan-2-ylmorpholin-2-yl)benzonitrile
SMILESCC(C)C1CNCC(c2cccc(C#N)c2)O1
InChIInChI=1S/C14H18N2O/c1-10(2)13-8-16-9-14(17-13)12-5-3-4-11(6-12)7-15/h3-6,10,13-14,16H,8-9H2,1-2H3
InChIKeySTIFSYRCQUHPON-UHFFFAOYSA-N
XLogP2.24
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(6-propan-2-ylmorpholin-2-yl)benzonitrile?
The IUPAC name of 3-(6-propan-2-ylmorpholin-2-yl)benzonitrile (CID 113492576) is 3-(6-propan-2-ylmorpholin-2-yl)benzonitrile.
What is the SMILES notation for 3-(6-propan-2-ylmorpholin-2-yl)benzonitrile?
The canonical SMILES for 3-(6-propan-2-ylmorpholin-2-yl)benzonitrile is CC(C)C1CNCC(c2cccc(C#N)c2)O1.
What is the InChIKey of 3-(6-propan-2-ylmorpholin-2-yl)benzonitrile?
The InChIKey is STIFSYRCQUHPON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-10(2)13-8-16-9-14(17-13)12-5-3-4-11(6-12)7-15/h3-6,10,13-14,16H,8-9H2,1-2H3.
What are the key properties of 3-(6-propan-2-ylmorpholin-2-yl)benzonitrile?
3-(6-propan-2-ylmorpholin-2-yl)benzonitrile has a molecular weight of 230.31 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-propan-2-ylmorpholin-2-yl)benzonitrile is sourced from PubChem (CID 113492576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).