2-(cyclopropylamino)-4-(4-methoxyphenoxy)-2-methylpentanenitrile

C16H22N2O2 — CID 64727208

IUPAC2-(cyclopropylamino)-4-(4-methoxyphenoxy)-2-methylpentanenitrile
SMILESCOc1ccc(OC(C)CC(C)(C#N)NC2CC2)cc1
InChIInChI=1S/C16H22N2O2/c1-12(10-16(2,11-17)18-13-4-5-13)20-15-8-6-14(19-3)7-9-15/h6-9,12-13,18H,4-5,10H2,1-3H3
InChIKeyVNNTZTPBABRBKQ-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.89
Rot. Bonds7

About 2-(cyclopropylamino)-4-(4-methoxyphenoxy)-2-methylpentanenitrile

2-(cyclopropylamino)-4-(4-methoxyphenoxy)-2-methylpentanenitrile (PubChem CID 64727208) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 2-(cyclopropylamino)-4-(4-methoxyphenoxy)-2-methylpentanenitrile.

Molecular Properties

Compound Name2-(cyclopropylamino)-4-(4-methoxyphenoxy)-2-methylpentanenitrile
PubChem CID64727208
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name2-(cyclopropylamino)-4-(4-methoxyphenoxy)-2-methylpentanenitrile
SMILESCOc1ccc(OC(C)CC(C)(C#N)NC2CC2)cc1
InChIInChI=1S/C16H22N2O2/c1-12(10-16(2,11-17)18-13-4-5-13)20-15-8-6-14(19-3)7-9-15/h6-9,12-13,18H,4-5,10H2,1-3H3
InChIKeyVNNTZTPBABRBKQ-UHFFFAOYSA-N
XLogP2.89
TPSA54.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-4-(4-methoxyphenoxy)-2-methylpentanenitrile?
The IUPAC name of 2-(cyclopropylamino)-4-(4-methoxyphenoxy)-2-methylpentanenitrile (CID 64727208) is 2-(cyclopropylamino)-4-(4-methoxyphenoxy)-2-methylpentanenitrile.
What is the SMILES notation for 2-(cyclopropylamino)-4-(4-methoxyphenoxy)-2-methylpentanenitrile?
The canonical SMILES for 2-(cyclopropylamino)-4-(4-methoxyphenoxy)-2-methylpentanenitrile is COc1ccc(OC(C)CC(C)(C#N)NC2CC2)cc1.
What is the InChIKey of 2-(cyclopropylamino)-4-(4-methoxyphenoxy)-2-methylpentanenitrile?
The InChIKey is VNNTZTPBABRBKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-12(10-16(2,11-17)18-13-4-5-13)20-15-8-6-14(19-3)7-9-15/h6-9,12-13,18H,4-5,10H2,1-3H3.
What are the key properties of 2-(cyclopropylamino)-4-(4-methoxyphenoxy)-2-methylpentanenitrile?
2-(cyclopropylamino)-4-(4-methoxyphenoxy)-2-methylpentanenitrile has a molecular weight of 274.36 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-4-(4-methoxyphenoxy)-2-methylpentanenitrile is sourced from PubChem (CID 64727208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).