2-[2-(2-methoxy-N-methylanilino)ethyl]-1-(methylamino)cyclopentane-1-carbonitrile

C17H25N3O — CID 79578119

IUPAC2-[2-(2-methoxy-N-methylanilino)ethyl]-1-(methylamino)cyclopentane-1-carbonitrile
SMILESCNC1(C#N)CCCC1CCN(C)c1ccccc1OC
InChIInChI=1S/C17H25N3O/c1-19-17(13-18)11-6-7-14(17)10-12-20(2)15-8-4-5-9-16(15)21-3/h4-5,8-9,14,19H,6-7,10-12H2,1-3H3
InChIKeyKSHJQAPZMUPWDP-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.80
Rot. Bonds6

About 2-[2-(2-methoxy-N-methylanilino)ethyl]-1-(methylamino)cyclopentane-1-carbonitrile

2-[2-(2-methoxy-N-methylanilino)ethyl]-1-(methylamino)cyclopentane-1-carbonitrile (PubChem CID 79578119) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 2-[2-(2-methoxy-N-methylanilino)ethyl]-1-(methylamino)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name2-[2-(2-methoxy-N-methylanilino)ethyl]-1-(methylamino)cyclopentane-1-carbonitrile
PubChem CID79578119
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name2-[2-(2-methoxy-N-methylanilino)ethyl]-1-(methylamino)cyclopentane-1-carbonitrile
SMILESCNC1(C#N)CCCC1CCN(C)c1ccccc1OC
InChIInChI=1S/C17H25N3O/c1-19-17(13-18)11-6-7-14(17)10-12-20(2)15-8-4-5-9-16(15)21-3/h4-5,8-9,14,19H,6-7,10-12H2,1-3H3
InChIKeyKSHJQAPZMUPWDP-UHFFFAOYSA-N
XLogP2.80
TPSA48.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxy-N-methylanilino)ethyl]-1-(methylamino)cyclopentane-1-carbonitrile?
The IUPAC name of 2-[2-(2-methoxy-N-methylanilino)ethyl]-1-(methylamino)cyclopentane-1-carbonitrile (CID 79578119) is 2-[2-(2-methoxy-N-methylanilino)ethyl]-1-(methylamino)cyclopentane-1-carbonitrile.
What is the SMILES notation for 2-[2-(2-methoxy-N-methylanilino)ethyl]-1-(methylamino)cyclopentane-1-carbonitrile?
The canonical SMILES for 2-[2-(2-methoxy-N-methylanilino)ethyl]-1-(methylamino)cyclopentane-1-carbonitrile is CNC1(C#N)CCCC1CCN(C)c1ccccc1OC.
What is the InChIKey of 2-[2-(2-methoxy-N-methylanilino)ethyl]-1-(methylamino)cyclopentane-1-carbonitrile?
The InChIKey is KSHJQAPZMUPWDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-19-17(13-18)11-6-7-14(17)10-12-20(2)15-8-4-5-9-16(15)21-3/h4-5,8-9,14,19H,6-7,10-12H2,1-3H3.
What are the key properties of 2-[2-(2-methoxy-N-methylanilino)ethyl]-1-(methylamino)cyclopentane-1-carbonitrile?
2-[2-(2-methoxy-N-methylanilino)ethyl]-1-(methylamino)cyclopentane-1-carbonitrile has a molecular weight of 287.41 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxy-N-methylanilino)ethyl]-1-(methylamino)cyclopentane-1-carbonitrile is sourced from PubChem (CID 79578119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).